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Spec-Chem Industry Inc.

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Contact: Stan Su
Web: http://www.specchemind.com
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Address: No. 90 East Zhongshan Road, Nanjing, Jiangsu 210002, China
Phone: +86-(25)-84523390-111 | Fax: +86-(25)-84520790, 84520791 | Map/Directions >>

Profile: Spec-Chem Industry Inc. manufactures raw materials for cosmetic and personal care industries. We focus on extraction technology, biofermentation, bio-actives, delivery systems, functional ingredients and protein chemistry. Our products include promestriene, nitazoxanide, sodium hyualuronate, arbutin, magnesium ascorbyl phosphate, ethyl ascorbic acid, aminoethyl phosphinic acid, kojic acid, kojic dipalmitate, glabridin, undecylenoyl phenylalanine, capryloyl glycin, capryloyl salicylic acid, piroctone olamine, climbazole, sodium copper chlorophyllin. acetyl hexapeptide-3, GHK copper, Pal-KTTKS, ceramide synthetic, hydrolyzed collagen. alkyl polyglycosides, polyquaternium,sodium stearoyl lactylate, carboxymethyl glucan. 2-chloropyrimidine; 2,5-diamino-4,6-dihydroxypyrimidine; 2,5-diamino-4,6-dichloropyrimidine; 2-methyl-4,6-dihydroxypyrimidine; 5,6-diamino-4-hydroxy-2-mercaptopyrimidine; xanthine; 2,6-dithiopurine; benzylacetone; acetamide; 2-amino-4-hydroxypyrimidine; 2,6-dichloropurine; (E)-1,4-dibromo-2-butene; 4-hydroxycinnamic acid.

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• 6-Mercaptopurine monohydrate
IUPAC Name: 3,7-dihydropurine-6-thione hydrate | CAS Registry Number: 6112-76-1
Synonyms: mercaptopurine, Purinethol, Mercaptopurine hydrate, 6-Purinethiol, Purinethol (TN), 6-Thiohypoxanthine, 6-Mercaptopurine hydrate, Mercaptopurine [USAN], Mercaptopurine (USP), Purine-6-thiol monohydrate, 6-MERCAPTOPURINE MONOHYDRATE, Mercaptopurine Monohydrate, Purine-6-thiol, monohydrate, CCRIS 5819, MLS001335961, MLS001335962, C5H4N4S.H2O, 852678_ALDRICH, Mercaptopurine hydrate (JP15), Mercaptopurine [BAN:INN:JAN]

Molecular Formula: C5H6N4OSMolecular Weight: 170.192340 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: WFFQYWAAEWLHJC-UHFFFAOYSA-N

• 2-Mercapto Pyrimidine
IUPAC Name: 1H-pyrimidine-2-thione | CAS Registry Number: 1450-85-7
Synonyms: 2-Thiopyrimidine, 2-Mercaptopyrimidine, 2-Pyrimidinethiol, Pyrimidine-2-thiol, 2-Pyrimidinethione, Pyrimidine-1-thiol, 2(1H)-Pyrimidinethione, 129623_ALDRICH, AIDS023055, AIDS-023055, NSC48073, EINECS 215-917-3, EINECS 258-741-2, NSC193522, SBB007595, ZINC01649580, ZINC02008823, 19351-11-2 (DELETED), 107646-94-6 (DELETED), InChI=1/C4H4N2S/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7

Molecular Formula: C4H4N2SMolecular Weight: 112.152960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: HBCQSNAFLVXVAY-UHFFFAOYSA-N

• 3-Methyl-4-NitroBenzoic Acid
IUPAC Name: 3-methyl-4-nitrobenzoic acid | CAS Registry Number: 3113-71-1
Synonyms: 3-Methyl-4-nitrobenzoic acid, 4-Nitro-m-toluic acid, m-Toluic acid, 4-nitro-, Benzoic acid, 3-methyl-4-nitro-, M60600_ALDRICH, MLS002152884, TPC-B002, TPC-I001, EINECS 221-479-4, NSC 28455, NSC28455, 3-METHYL-4-NITRO-BENZOIC ACID, LS-1170, NCGC00091302-01, SB 01931, SMR001224497, ST5406139, TL8002381, M-4215

Molecular Formula: C8H7NO4Molecular Weight: 181.145480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: XDTTUTIFWDAMIX-UHFFFAOYSA-N

• 5-Azacytosine
IUPAC Name: 6-amino-1H-1,3,5-triazin-2-one | CAS Registry Number: 931-86-2
Synonyms: s-Triazin-2-ol, 4-amino-, 4-Amino-1,3,5-triazin-2-one, 855049_ALDRICH, 2-Amino-4-hydroxy-sym-triazine, s-Triazin-2(1H)-one, 4-amino-, 11387_FLUKA, EINECS 213-242-9, 4-AMINO-S-TRIAZIN-2-OL, NSC 51100, NSC 54006, AIDS023084, 1,3,5-Triazin-2(1H)-one, 4-amino-, AIDS-023084, NSC51100, NSC54006, 4-Amino-1,3,5-triazin-2(1H)-one, ZINC01845522, LS-155640, TL8005911, A-9450

Molecular Formula: C3H4N4OMolecular Weight: 112.090060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: MFEFTTYGMZOIKO-UHFFFAOYSA-N

• 2,6-Diaminopurine
IUPAC Name: 7H-purine-2,6-diamine | CAS Registry Number: 1904-98-9
Synonyms: 2-Aminoadenine, Diaminopurine, 1H-Purine-2,6-diamine, 2-6-Diaminopurine, Purine, 2,6-diamino-, Purine-2,6-diyldiamine, 9H-Purine-2,6-diamine, 7H-purine-2,6-diamine, CCRIS 923, Purine, 2, 6-diamino-, Oprea1_670021, MLS001066366, NSC 743, 247847_ALDRICH, C5H6N6, NSC743, EINECS 217-605-2, AIDS023709, SQ 21065, X 79

Molecular Formula: C5H6N6Molecular Weight: 150.141340 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: MSSXOMSJDRHRMC-UHFFFAOYSA-N

• 2,5-Diamino-4,6-Dichloro Pyrimidine
IUPAC Name: 4,6-dichloropyrimidine-2,5-diamine | CAS Registry Number: 55583-59-0
Synonyms: NSC176971, 4,6-dichloro-2,5-pyrimidinediamine, 4,6-Dichloropyrimidine-2,5-diamine, CID301039, TL8003628

Molecular Formula: C4H4Cl2N4Molecular Weight: 179.007360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ZXWGHENZKVQKPX-UHFFFAOYSA-N

• 5-Nitro Methyl Isophthalate
IUPAC Name: dimethyl 5-nitrobenzene-1,3-dicarboxylate | CAS Registry Number: 13290-96-5
Synonyms: Dimethyl 5-nitroisophthalate, Ambap1748, 237361_ALDRICH, 36614_RIEDEL, EINECS 236-307-3, 5-Nitroisophthalic acid, dimethyl ester, NSC 93786, NSC93786, BRN 2140916, ZINC00056579, Dimethyl 5-nitro-1,3-benzenedicarboxylate, 1,3-Benzenedicarboxylic acid, 5-nitro-, dimethyl ester, LS-29788, Dimethyl 5-nitrobenzene-1,3-dicarboxylate, Isophthalic acid, 5-nitro-, dimethyl ester, ST5307157, 4-09-00-03299 (Beilstein Handbook Reference), Isophthalic acid, 5-nitro-, dimethyl ester (6CI,7CI,8CI)

Molecular Formula: C10H9NO6Molecular Weight: 239.181560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: GGTSJKFPGKFLCZ-UHFFFAOYSA-N

• 1-Decanol
IUPAC Name: decan-1-ol | CAS Registry Number: 112-30-1
Synonyms: n-Decanol, 1-DECANOL, n-Decyl alcohol, Decyl alcohol, Nonylcarbinol, Capric alcohol, Caprinic alcohol, Royaltac, Decanol, Antak, Decan-1-ol, n-Nonylcarbinol, n-Decatyl alcohol, n-Decan-1-ol, 1-Hydroxydecane, Sprout-Off, Alcohol C-10, Contak, Delete, Decylic alcohol

Molecular Formula: C10H22OMolecular Weight: 158.281080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MWKFXSUHUHTGQN-UHFFFAOYSA-N

• 2-Bromopyrimidine
IUPAC Name: 2-bromopyrimidine | CAS Registry Number: 4595-60-2
Synonyms: Pyrimidine, 2-bromo-, 245844_ALDRICH, ZINC01569572, CID78345, NSC88935, EINECS 224-993-7, NSC 88935, B2474G5, CC 07210, TL8003189

Molecular Formula: C4H3BrN2Molecular Weight: 158.984020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PGFIHORVILKHIA-UHFFFAOYSA-N

• 1H-Indazol-3-Carbonic Acid
IUPAC Name: 1H-indazole-3-carboxylic acid | CAS Registry Number: 4498-67-3
Synonyms: 1H-Indazole-3-carboxylic acid, Indazole-3-carboxylic acid, Benzopyrazole-3-carboxylic acid, MLS000085703, 56915_FLUKA, ZERO/005535, ALBB-006238, CID78250, EINECS 224-794-5, NSC520610, NSC 520610, SMR000020832, TL8003127, UX00000511

Molecular Formula: C8H6N2O2Molecular Weight: 162.145440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: BHXVYTQDWMQVBI-UHFFFAOYSA-N

• 3,5-Dichloro Pyridine
IUPAC Name: 3,5-dichloropyridine | CAS Registry Number: 2457-47-8
Synonyms: 3,5-DICHLOROPYRIDINE, Pyridine, 3,5-dichloro-, WLN: T6NJ CG EG, CCRIS 1719, D73804_ALDRICH, NSC60546, EINECS 219-537-9, NSC 60546, CID17153, BRN 0001973, ZINC00404352, D276, LS-131364, TL8004910, 5-20-05-00417 (Beilstein Handbook Reference), InChI=1/C5H3Cl2N/c6-4-1-5(7)3-8-2-4/h1-3

Molecular Formula: C5H3Cl2NMolecular Weight: 147.990020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WPGHPGAUFIJVJF-UHFFFAOYSA-N

• 2-Amino-4,6-Dihydroxy Pyrimidine
IUPAC Name: 2-amino-4-hydroxy-1H-pyrimidin-6-one | CAS Registry Number: 56-09-7
Synonyms: 2-Amino-4,6-dihydroxypyrimidine, 2-Amino-4,6-dioxypyrimidine, 2-Amino-4,6-pyrimidinedione, 4,6-Dihydroxy-2-aminopyrimidine, 2-Amino-4,6-pyrimidinediol, A50401_ALDRICH, 2-Amino-pyrimidine-4,6-diol, ARONIS023300, EINECS 200-256-5, 4(1H)-Pyrimidinone, 2-amino-6-hydroxy-, NSC 15920, NSC15920, NSC18692, 2-Amino-6-hydroxy-1H-pyrimidin-4-one, 2-Amino-6-hydroxy-4(1H)-pyrimidinone, SBB004246, SBB004247, ZINC02015904, BAS 00293369, LS-135839

Molecular Formula: C4H5N3O2Molecular Weight: 127.101400 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: AUFJTVGCSJNQIF-UHFFFAOYSA-N

• 2-Bromo-2-Nitro-1,3-Propanediol
IUPAC Name: 2-bromo-2-nitropropane-1,3-diol | CAS Registry Number: 52-51-7
Synonyms: bronopol, Bronocot, Bronosol, Bronidiol, Bronotak, Lexgard bronopol, Onyxide 500, Bronopolu [Polish], Caswell No. 116A, Bronopolum [INN-Latin], 2-Bromo-2-nitro-1,3-propanediol, 2-Bromo-2-nitropropane-1,3-diol, C3H6BrNO4, WLN: WNXE1Q1Q, 1,3-Propanediol, 2-bromo-2-nitro-, Bronopol [BAN:INN:JAN], Bronopol [INN:BAN:JAN], 2-Nitro-2-bromo-1,3-propanediol, Bronopol (JAN/USAN/INN), HSDB 7195

Molecular Formula: C3H6BrNO4Molecular Weight: 199.988040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LVDKZNITIUWNER-UHFFFAOYSA-N

• 5-Aminoindole
IUPAC Name: 1H-indol-5-amine | CAS Registry Number: 5192-03-0
Synonyms: 1H-Indol-5-amine, Indol-5-ylamine, 5-Indolamine, Indole, 5-amino-, A59654_ALDRICH, NSC61452, 08245_FLUKA, CHEBI:33067, CID78867, EINECS 225-977-2, NSC 61452, SBB004219, ZINC00153906, SDCCGMLS-0066200.P001, TL8003435, A-5640

Molecular Formula: C8H8N2Molecular Weight: 132.162520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZCBIFHNDZBSCEP-UHFFFAOYSA-N

• 1,3-Dihydroxyacetone dimer
IUPAC Name: 1,3-dihydroxypropan-2-one | CAS Registry Number: 62147-49-3
Synonyms: Dihydroxyacetone, glycerone, Chromelin, Viticolor, Triulose, Dihyxal, Oxantin, Oxatone, Soleal, 1,3-dihydroxyacetone, Otan, dihydroxy-acetone, 1,3-Dihydroxy-2-propanone, 2-Propanone, 1,3-dihydroxy-, 1,3-Dihydroxypropanone, 1,3-Dihydroxypropan-2-one, 1,3-Dihydroxydimethyl ketone, DIHYDROXY ACETONE, 2-Propanone, 1,3-dihydroxy, CCRIS 4899

Molecular Formula: C3H6O3Molecular Weight: 90.077940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: RXKJFZQQPQGTFL-UHFFFAOYSA-N

• (S)-1-(2-Amino-5-chlorophenyl)-1-(trifluoromethyl)-3-cyclopropyl-2-propyn-1-ol
IUPAC Name: (2S)-2-(2-amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol | CAS Registry Number: 209414-27-7
Synonyms: (S)-1-(2-AMINO-5-CHLOROPHENYL)-1-(TRIFLUOROMETHYL)-3-CYCLOPROPYL-2-PROPYN-1-OL, Efavirenz aminoalcohol, SureCN524307, UNII-Z3E01963ZY, CTK4C8347, MolPort-019-904-156, 154598-58-0, ANW-59691, ZINC22054357, AKOS016003800, AG-E-02597, AG-E-53756, RL02588, AK-41527, KB-210558, FT-0686541, A815040, (2S)-2-(2-amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluoro-3-butyn-2-ol, (2S)-2-(2-azanyl-5-chloranyl-phenyl)-4-cyclopropyl-1,1,1-tris(fluoranyl)but-3-yn-2-ol, (S)-2-(2-AMINO-5-CHLOROPHENYL)-4-CYCLOPROPYL-1,1,1-TRIFLUOROBUT-3-YN-2-OL

Molecular Formula: C13H11ClF3NOMolecular Weight: 289.680750 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: KEMUGFRERPPUHB-LBPRGKRZSA-N

• (±)-2-Azabicyclo[2.2.1]hept-5-en-3-one
IUPAC Name: 3-azabicyclo[2.2.1]hept-5-en-2-one | CAS Registry Number: 49805-30-3
Synonyms: 2-Azabicyclo[2.2.1]hept-5-en-3-one, 4-Amino-2-cyclopentene-1-carboxylic acid lactam, (1S)-(+)-2-Azabicyclo[2.2.1]hept-5-en-3-one, 130931-83-8, ACMC-20a4cd, ACMC-1ASAH, (+/-)-2-Azabicyclo[2.2.1]hept-5-en-3-one, (1R,4S)-6-azabicyclo[2.2.1]hept-2-en-5-one, AC1LC6AD, (1S,4R)-2-Aza-bicyclo[2.2.1]hept-5-en-3-one, (1R)-(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one, SureCN548616, KSC235O6L, AGN-PC-00G6X5, ( inverted exclamation markA)-2-Azabicyclo[2.2.1]hept-5-en-3-one, 331910_ALDRICH, 441279_ALDRICH, 441287_ALDRICH, BTBG00205, CTK1D5765

Molecular Formula: C6H7NOMolecular Weight: 109.125880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DDUFYKNOXPZZIW-UHFFFAOYSA-N

• 4-Chloroindole
IUPAC Name: 4-chloro-1H-indole | CAS Registry Number: 25235-85-2
Synonyms: 4-Chloro-1H-indole, 1H-Indole, 4-chloro-, 246220_ALDRICH, ALBB-006049, NSC88141, EINECS 246-747-8, NSC 88141, SBB004057, ZINC00407089, C2290G1, TL806304, C-4200

Molecular Formula: C8H6ClNMolecular Weight: 151.592940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SVLZRCRXNHITBY-UHFFFAOYSA-N

• 1-Acetyl-3-hydroxyindole
IUPAC Name: 1-(3-hydroxyindol-1-yl)ethanone | CAS Registry Number: 33025-60-4
Synonyms: N-Acetylindoxyl, N-Acetyl-3-hydroxyindole, N-Acetyl-3-indolol, 1-ACETYLINDOL-3-OL, 1-(3-hydroxyindol-1-yl)ethanone, 1-(3-Hydroxy-1H-indol-1-yl)ethanone, 1-(3-hydroxy-1H-indol-1-yl)ethan-1-one, Acetylindoxyl, 1-acetyl-1H-indol-3-ol, C02298, AC1L97VE, SureCN1333179, 1-ACETYLINDOLE-3-OL, 1H-Indol-3-ol, 1-acetyl-, ETH054, CHEBI:15363, CTK8I2303, 1-ACETYL-3-HYDROXYINDOLE, MolPort-001-786-500, ZINC00242451

Molecular Formula: C10H9NO2Molecular Weight: 175.183960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NNJXIAOPPYUVAX-UHFFFAOYSA-N

• 5-Isothiocyanatofluorescein
IUPAC Name: 3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one | CAS Registry Number: 3326-32-7
Synonyms: FITC-Celite, FITC, Fluorescein isothiocyanate, F5ITC, fluorescein 5-isothiocyanate, 5-isothiocyanatofluorescein, 5-FITC, Fluorescein-5-isothiocyanat, Fluoreszein-5-isothiocyanat, F2502_ALDRICH, FLUORESCEIN-5-ISOTHIOCYANATE, F3651_SIGMA, F4274_SIGMA, F7250_SIGMA, F1628_SIAL, 46950_FLUKA, CHEBI:37918, EINECS 222-042-0, Fluorescein 5(6)-isothiocyanate, Fluorescein isothiocyanate isomer I

Molecular Formula: C21H11NO5SMolecular Weight: 389.380740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: MHMNJMPURVTYEJ-UHFFFAOYSA-N

• 6-Bromoindole
IUPAC Name: 6-bromo-1H-indole | CAS Registry Number: 52415-29-9
Synonyms: 6-bromo-1H-indole, Maybridge1_006369, 524344_ALDRICH, ZINC00039643, CID676493, B2309G1, ST057071, B-8440

Molecular Formula: C8H6BrNMolecular Weight: 196.043940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MAWGHOPSCKCTPA-UHFFFAOYSA-N

• 2-Amino-4-hydroxypyrimidine
IUPAC Name: 2-amino-1H-pyrimidin-6-one | CAS Registry Number: 108-53-2
Synonyms: Isocytosine, 2-Aminouracil, Isocytosine (VAN), 2-Amino-4-pyrimdinol, 2-Amino-4-pyrimidone, 2-Amino-4-oxypyrimidine, 2-Amino-4-pyrimidol, 4-Pyrimidinol, 2-amino-, 4(3H)-Pyrimidinone, 2-amino-, 2-aminopyrimidin-4(1H)-one, 2-aminopyrimidin-4(3H)-one, 4(1H)-Pyrimidinone, 2-amino-, I2127_SIGMA, 2-Amino-3H-pyrimidin-4-one, AIDS020793, AIDS045569, AIDS081807, AIDS-020793, AIDS-045569, AIDS-081807

Molecular Formula: C4H5N3OMolecular Weight: 111.102000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XQCZBXHVTFVIFE-UHFFFAOYSA-N

• 4-Ethyl-5-fluoro-6-hydroxypyrimidine
IUPAC Name: 6-ethyl-5-fluoro-1H-pyrimidin-4-one | CAS Registry Number: 137234-87-8
Synonyms: 6-Ethyl-5-fluoro-pyrimidin-4-ol, 6-ethyl-5-fluoropyrimidin-4-ol, 6-Ethyl-5-fluoro-4-hydroxypyrimidine, 6-Ethyl-5-fluoropyrimidin-4(3H)-one, PubChem9312, SureCN2324216, SureCN3957474, SureCN8407756, ACMC-1C25Z, Jsp002245, CTK0H4516, MolPort-001-773-379, ACN-S002075, ACT04910, ANW-45276, SBB086228, ZINC16158677, AKOS005146407, AKOS006283492, 6-Ethyl-5-fluoropyrimidin-4(1H)-one

Molecular Formula: C6H7FN2OMolecular Weight: 142.130983 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZEMRCKIJEFNNCO-UHFFFAOYSA-N

• 1-O-N-Octyl-Beta-D-Glucopyranoside
IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol | CAS Registry Number: 29836-26-8
Synonyms: B-Octylglucoside, Octyl glucoside, n-Octyl glucoside, Octyl beta-D-glucoside, nchembio828-comp13, beta-D-Octyl glucoside, Octyl-beta-D-glucoside, beta-Octyl monoglucoside, n-Octyl beta-D-glucoside, Octyl beta-glucopyranoside, 1-Octyl beta-D-glucoside, beta-D-Glucopyranoside, octyl, GLC-(1-1)OCT, OCTYL BETA-D-GLUCOPYRANOSIDE, O3757_SIGMA, 1-O-Octyl-beta-D-glucopyranoside, n-Octyl beta-D-glucopyranoside, 1-Octyl beta-D-glucopyranoside, O8001_SIAL, O9882_SIAL

Molecular Formula: C14H28O6Molecular Weight: 292.368520 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: HEGSGKPQLMEBJL-RKQHYHRCSA-N

• 2-(Dimethylamino)-5,6-Dimethyl-4-Pyrimidinyidimethylcarbamate
IUPAC Name: [2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate | CAS Registry Number: 23103-98-2
Synonyms: PIRIMICARB, Pirimor, Pyrimor, Primicarbe, Aficida, Fernos, Aphox, Rapid, Pirimor G, Pirimor granulate, ABOL, Pirimor 50 DP, ZZ-Aphox, Pirimicarb solution, Caswell No. 359C, Pirimicarbe [ISO-French], PS757_SUPELCO, Pirimicarb [ANSI:BSI:ISO], HSDB 7005, TPC-PC001

Molecular Formula: C11H18N4O2Molecular Weight: 238.286220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: YFGYUFNIOHWBOB-UHFFFAOYSA-N

• 2-Methyl-3-Nitrobenzoic Acid
IUPAC Name: 2-methyl-3-nitrobenzoic acid | CAS Registry Number: 1975-50-4
Synonyms: 3-Nitro-o-toluic acid, 2-METHYL-3-NITROBENZOIC ACID, Benzoic acid, 2-methyl-3-nitro-, Oprea1_641068, 137847_ALDRICH, 3-Nitro-2-methyl benzoic acid, TPC-B005, TPC-I003, EINECS 217-826-4, CID16096, LS-976, NCGC00091604-01, ST5406632, M-4208, InChI=1/C8H7NO4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3,(H,10,11

Molecular Formula: C8H7NO4Molecular Weight: 181.145480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: YPQAFWHSMWWPLX-UHFFFAOYSA-N

• 4-Nitro-O-Xylene
IUPAC Name: 1,2-dimethyl-4-nitrobenzene | CAS Registry Number: 99-51-4
Synonyms: 4-Nitro-o-xylene, p-Nitro-o-xylene, o-Xylene, 4-nitro-, para-Nitro-ortho-xylene, 1,2-DIMETHYL-4-NITROBENZENE, Benzene, 1,2-dimethyl-4-nitro-, 3,4-Dimethyl-1-nitrobenzene, 4-Nitro-1,2-dimethylbenzene, CCRIS 3118, N28604_ALDRICH, HSDB 5324, o-Xylene, 4-nitro- (8CI), EINECS 202-761-6, NSC 66555, NSC66555, ZINC01693954, LS-2061, NCGC00091347-01, NCGC00091347-02, TL8006069

Molecular Formula: C8H9NO2Molecular Weight: 151.162560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HFZKOYWDLDYELC-UHFFFAOYSA-N

• 6-Chloropurine
IUPAC Name: 6-chloro-7H-purine | CAS Registry Number: 87-42-3
Synonyms: 6-CHLOROPURINE, Purine, 6-chloro-, 6-Chlorpurine, 6-Chloro-9H-purine, 1H-Purine, 6-chloro-, 6-Chloro-1H-purine, 6-chloro-7H-purine, 6-CP, NSC 744, 161179_ALDRICH, 511617_ALDRICH, NSC744, 26260_FLUKA, EINECS 201-745-6, SK 6048, 1H-Purine, 6-chloro- (9CI), AIDS020977, X 47, AIDS-020977, SBB004030

Molecular Formula: C5H3ClN4Molecular Weight: 154.557120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZKBQDFAWXLTYKS-UHFFFAOYSA-N

• 2-Bromobutyric Acid
IUPAC Name: 2-bromobutanoic acid | CAS Registry Number: 80-58-0
Synonyms: 2-BROMOBUTYRIC ACID, 2-Bromobutanoic acid, alpha-Bromobutyric acid, .alpha.-Bromobytyric acid, Butanoic acid, 2-bromo-, Butyric acid, 2-bromo-, .alpha.-Bromobutyric acid, WLN: QVYE2, Butyric acid, alpha-bromo-, Butyric acid, .alpha.-bromo-, 147877_ALDRICH, 16510_FLUKA, NSC8024, Butyric acid, 2-bromo- (8CI), NSC 8024, EINECS 201-294-5, AI3-52295, ST5214343, TL8005416, 2385-70-8

Molecular Formula: C4H7BrO2Molecular Weight: 167.001180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YAQLSKVCTLCIIE-UHFFFAOYSA-N

• 2,6-Dimercapto Purine
IUPAC Name: 3,7-dihydropurine-2,6-dithione | CAS Registry Number: 5437-25-2
Synonyms: Dithioxanthine, Purinedithiol, Dithiopurine, 2,6-Dithiopurine, Purine analog, Purine-2,6-dithiol, 2,6-Dimercaptopurine, 2,6-Dithioxanthine, 2,6-Purinedithiol, 2,6-Dimercapto-7H-purine, Ambap3309, Xanthine, 2,6-dithio-, Xanthine, dithio- (7CI,8CI), 852627_ALDRICH, STOCK1S-27790, EINECS 226-608-8, NSC 15989, NSC685799, AIDS045537, AIDS099048

Molecular Formula: C5H4N4S2Molecular Weight: 184.242060 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: VQPMXSMUUILNFZ-UHFFFAOYSA-N

• 4-Amino-3-Methylbenzoic acid
IUPAC Name: 4-amino-3-methylbenzoic acid | CAS Registry Number: 2486-70-6
Synonyms: 4-Amino-3-methylbenzoic acid, 4-Amino-m-toluic acid, Benzoic acid, 4-amino-3-methyl-, A63007_ALDRICH, 3-methyl-4-aminobenzoic acid, TPC-B003, TPC-I002, Benzoic acid, 3-methyl-4-amino, AIDS020031, AIDS-020031, EINECS 219-629-9, NSC227945, TL8002031, 10X-0868

Molecular Formula: C8H9NO2Molecular Weight: 151.162560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: NHFKECPTBZZFBC-UHFFFAOYSA-N

• 2,3,5-Trichloropyridine
IUPAC Name: 2,3,5-trichloropyridine | CAS Registry Number: 16063-70-0
Synonyms: 2,3,5-TRICHLOROPYRIDINE, Pyridine, 2,3,5-trichloro-, ZERO/001504, 384275_ALDRICH, TPC-I005, CID27666, BRN 0119384, ZINC00084933, T250, LS-132112, EU-0067746, 5-20-05-00420 (Beilstein Handbook Reference), AF-834/25001439, InChI=1/C5H2Cl3N/c6-3-1-4(7)5(8)9-2-3/h1-2

Molecular Formula: C5H2Cl3NMolecular Weight: 182.435080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CNLIIAKAAMFCJG-UHFFFAOYSA-N

• 5-Chloro-2,3-difluoropyridine
IUPAC Name: 5-chloro-2,3-difluoropyridine | CAS Registry Number: 89402-43-7
Synonyms: 2,3-Difluoro-5-chloropyridine, TPC-I006, ZINC02525803, CID2783248, C157, TL8005762, 3S106476, 3S210971

Molecular Formula: C5H2ClF2NMolecular Weight: 149.525886 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PERMDYZFNQIKBL-UHFFFAOYSA-N

• 2,6-DichloroPurine
IUPAC Name: 2,6-dichloro-7H-purine | CAS Registry Number: 5451-40-1
Synonyms: 2,6-Dichloropurine, 2, 6-Dichloropurine, Purine, 2,6-dichloro-, 2,6-dichloro-9H-purine, 2,6-Dichloro-1H-purine, 1H-Purine, 2,6-dichloro-, 2,6-DICHLORO PURINE, D73103_ALDRICH, 9H-purine, 2,6-dichloro-, 36390_FLUKA, AIDS021810, BM032, AIDS-021810, NSC18395, EINECS 226-681-6, NSC 18395, SBB000271, ZINC01769175, 1H-Purine, 2,6-dichloro- (9CI), KS-1014

Molecular Formula: C5H2Cl2N4Molecular Weight: 189.002180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RMFWVOLULURGJI-UHFFFAOYSA-N

• 5,6-Diamino-4-hydroxy-2-mercaptopyrimidine
IUPAC Name: 5,6-diamino-2-sulfanylidene-1H-pyrimidin-4-one | CAS Registry Number: 1004-76-8
Synonyms: 4,5-Diamino-2-thiouracil, 5,6-Diamino-2-thiouracil, D17807_ALDRICH, 4,5-Diamino-6-hydroxy-2-thiopyrimidine, Uracil, 5,6-diamino-2-thio-, ALD-N037856, NSC45759, EINECS 213-727-5, NSC 45759, ZINC00967309, ZINC01081263, 4,5-Diamino-2-mercaptopyrimidin-6-ol, 4,5-Diamino-2-mercaptopyrimidine-6-ol, 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine, AI3-52253, TL8000054, 5,6-diamino-2-sulfanylpyrimidin-4(3H)-one, Uracil, 5,6-diamino-2-thio- (VAN) (8CI), AC-907/25005461, 4(1H)-Pyrimidinone, 5,6-diamino-2,3-dihydro-2-thioxo-

Molecular Formula: C4H6N4OSMolecular Weight: 158.181640 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 3

InChIKey: QYSWOQHLIDKEOL-UHFFFAOYSA-N

• 4-chloro-3-(trifluoromethyl)phenyl Isocyanate
IUPAC Name: 1-chloro-4-isocyanato-2-(trifluoromethyl)benzene | CAS Registry Number: 327-78-6
Synonyms: 374881_ALDRICH, ZINC00152294, ALBB-007573, CID2733265, AC 30913, 4-Chloro-3-(trifluoromethyl)phenyl isocyanate, 1-chloro-4-isocyanato-2-(trifluoromethyl)benzene, 4-CHLORO-3-TRIFLUOROMETHYLPHENYL ISOCYANATE

Molecular Formula: C8H3ClF3NOMolecular Weight: 221.563730 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: NBJZEUQTGLSUOB-UHFFFAOYSA-N

• 4-Hydroxy Cinnamic Acid
IUPAC Name: (E)-3-(4-hydroxyphenyl)prop-2-enoic acid | CAS Registry Number: 7400-08-0
Synonyms: p-coumaric acid, p-Hydroxycinnamic acid, 4-Coumaric acid, Naringeninic acid, Para-Coumaric acid, p-Cumaric acid, 4-Hydroxycinnamic acid, trans-p-Coumaric acid, 4-coumarate, Hydroxycinnamic acid, (E)-p-Coumaric acid, 4-Hydroxycinnamate, trans-p-Coumarinic acid, p-Coumaric acid,trans, Cinnamic acid, p-hydroxy-, p-Hydroxyphenylacrylic acid, trans-4-Hydroxycinnamic acid, trans-4-coumaric acid, (E)-p-Hydroxycinnamic acid, trans-p-Hydroxycinnamic acid

Molecular Formula: C9H8O3Molecular Weight: 164.158020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: NGSWKAQJJWESNS-ZZXKWVIFSA-N

• 2-Chloromethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine hydrochloride
IUPAC Name: 2-(chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;hydrochloride | CAS Registry Number: 127337-60-4
Synonyms: 2-(Chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine hydrochloride, ST057373, 2-Chloromethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine, Hydrochloride, 2-Chloromethyl-3-methyl-4-(2,2,2-trifluoro-ethoxy)-pyridine HCl, 2-Chloromethyl-3-Methyl-4-(3-Meyhoxylpropanoxyl) pyridine Hydrochloride, 2-Chloromethyl-3-methyl-4-(2,2,2-trifluoro-ethoxy)-pyridine hydrochloride, 1-[2-(chloromethyl)-3-methyl(4-pyridyloxy)]-2,2,2-trifluoroethane, chloride, PubChem14161, ACMC-209bce, SureCN1681187, 631388_ALDRICH, Jsp001723, CTK8A9940, MolPort-003-986-348, ACN-S004527, ANW-18972, SBB001101, AKOS015845926, MCULE-8830735861, RP29741

Molecular Formula: C9H10Cl2F3NOMolecular Weight: 276.083010 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: CMZBQUWICURDCD-UHFFFAOYSA-N

• 6-Chloroindole
IUPAC Name: 6-chloro-1H-indole | CAS Registry Number: 17422-33-2
Synonyms: 6-Chloro-1H-indole, 1H-Indole, 6-chloro-, 246239_ALDRICH, NSC58083, ALBB-006051, CID87111, EINECS 241-449-4, SBB004059, ZINC00153934, C-4240

Molecular Formula: C8H6ClNMolecular Weight: 151.592940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: YTYIMDRWPTUAHP-UHFFFAOYSA-N

• 2-Methoxyphenylacetone
IUPAC Name: 1-(2-methoxyphenyl)propan-2-one | CAS Registry Number: 5211-62-1
Synonyms: o-Methoxy phenyl acetone, 1-(2-Methoxyphenyl)acetone, EINECS 226-008-6, ZINC02534746, ST5407446

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GMBFNZCPZFVKAT-UHFFFAOYSA-N

• 4-Amino-pyrazolo[3,4-d]pyrimidine
IUPAC Name: 1H-pyrazolo[3,4-d]pyrimidin-4-amine | CAS Registry Number: 2380-63-4
Synonyms: Pyrazoloadenine, aminopurinol, Purine analog, 4-App, 4-Aminopyrazolopyrimidine, 4 APP, 8-Aza-7-deazaadenine, 4-Aminopyrazolo(3,4-d)pyrimidine, 4-Aminopyrazolo[3,4-d]pyrimidine, A77806_ALDRICH, 4-Aminopyrazole(3,4-d)pyrimidine, 4APP-4, C5H5N5, NSC 1393, 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, EINECS 219-174-6, NSC1393, 4-Aminopyrazole[3,4-d]pyrimidine, AIDS045554, 1H-Pyrazolo(3,4-d)pyrimidin-4-amine

Molecular Formula: C5H5N5Molecular Weight: 135.126700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: LHCPRYRLDOSKHK-UHFFFAOYSA-N

• 5-Methylindole
IUPAC Name: 5-methyl-1H-indole | CAS Registry Number: 614-96-0
Synonyms: 5-Methylindol, Indole, 5-methyl-, 5-METHYLINDOLE, 5-Methyl-1H-indole, 1H-Indole, 5-methyl-, Indole, 5-methyl- (8CI), 222410_ALDRICH, 1H-Indole, 5-methyl- (9CI), BB_SC-1558, EINECS 210-400-9, NSC522562, ZINC01605250, M2329G1, NSC 522562, TL8003895, M-3914, InChI=1/C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6,10H,1H

Molecular Formula: C9H9NMolecular Weight: 131.174460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: YPKBCLZFIYBSHK-UHFFFAOYSA-N

• 5-Nitroso-2,4,6-triaminopyrimidine
IUPAC Name: 5-nitrosopyrimidine-2,4,6-triamine | CAS Registry Number: 1006-23-1
Synonyms: 2,4,6-Triamino-5-nitrosopyrimidine, CCRIS 4388, NSC677554, AIDS023042, 5-Nitro-2,4,6-triaminopyrimidine, AIDS-023042, NSC67309, 2,4,6-Pyrimidinetriamine, 5-nitroso-, EINECS 213-742-7, 5-Nitroso-2,4,6-pyrimidinetriamine, NSC 67309, ZINC03861400, Pyrimidine, 2,4,6-triamino-5-nitroso-, 5-Nitroso-2,4,6-Triamino pyrimidine, NSC 677554, 2,4,6-TRIAMINO-5-NITROPYRIMIDINE, AI3-61621, ST5308348, TL8000062

Molecular Formula: C4H6N6OMolecular Weight: 154.130040 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: XLQQJSWJHHKLOK-UHFFFAOYSA-N

• 2-Pyrrolidone-5-Carboxylic Acid Sodium Salt
IUPAC Name: sodium (2S)-5-oxopyrrolidine-2-carboxylate | CAS Registry Number: 54571-67-4
Synonyms: Nalidone, Sodium pidolate, Sodium PCA, PCA Soda, Sodium pyroglutamate, Ajidew N-50, Sodium L-pyroglutamate, Monosodium 5-oxoproline, Sodium 5-oxo-L-prolinate, L-5-Oxoproline monosodium salt, Sodium 5-oxo-DL-prolinate, Sodium L-pyrrolidonecarboxylate, Sodium pyrrolidone carboxylate, Sodium pyrrolidone-5-carboxylate, 5-Oxo-L-proline monosodium salt, UNII-469OTG57A2, PDSI 101, 5-Oxo-DL-proline, monosodium salt, EINECS 249-277-1, L-Proline, 5-oxo-, monosodium salt

Molecular Formula: C5H6NNaO3Molecular Weight: 151.095810 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CRPCXAMJWCDHFM-DFWYDOINSA-M

• 1-(3,4-Dimethoxyphenyl)-2-propanone
IUPAC Name: 1-(3,4-dimethoxyphenyl)propan-2-one | CAS Registry Number: 776-99-8
Synonyms: Veratryl acetone, Veratryl-2-propanone, 3,4-Dimethoxyphenylacetone, (3,4-Dimethoxyphenyl)acetone, 1-(3,4-Dimethoxyphenyl)acetone, 3,4-Dimethoxybenzyl methyl ketone, 141216_ALDRICH, EINECS 212-285-0, NSC 16700, CID69896, NSC16700, BRN 1107410, ZINC01747252, 2-Propanone, 1-(3,4-dimethoxyphenyl)-, FR-2388, LS-122900, ST5406615, 4-08-00-01844 (Beilstein Handbook Reference)

Molecular Formula: C11H14O3Molecular Weight: 194.227060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UMYZWICEDUEWIM-UHFFFAOYSA-N

• 2-Hydroxy-4-Methoxy Benzophenone
IUPAC Name: (2-hydroxy-4-methoxyphenyl)-phenylmethanone | CAS Registry Number: 131-57-7
Synonyms: oxybenzone, Oxybenzon, Benzophenone-3, Anuvex, Oxibenzonum, Solaquin, DuraScreen, Chimassorb 90, Uvinul 9, Advastab 45, Ongrostab HMB, Solbar, Syntase 62, Uvistat 24, Cyasorb UV 9, Sunscreen UV-15, Usaf cy-9, Mixture Name, Spectra-sorb UV 9, Uvinul M40

Molecular Formula: C14H12O3Molecular Weight: 228.243280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DXGLGDHPHMLXJC-UHFFFAOYSA-N

• 2-Hydroxy-4-Octyloxybenzophenone
IUPAC Name: (2-hydroxy-4-octoxyphenyl)-phenylmethanone | CAS Registry Number: 1843-05-6
Synonyms: Octabenzone, Benzophenone-12, Benzon OO, Seikalizer E, Rhodialux P, Zislizer E, Benzophenone 12, Cyasorb UV 531, Chimassorb 81, UV Absorber HOB, Advastab 46, Sumisorb 130, Spectra-Sorb UV 531, Anti-UV P, Biosorb 130, Carstab 700, Viosorb 130, Sanduvor 3035, Aduvex 248, Uvinul 408

Molecular Formula: C21H26O3Molecular Weight: 326.429340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QUAMTGJKVDWJEQ-UHFFFAOYSA-N

• 6-Mercaptopurine
IUPAC Name: 3,7-dihydropurine-6-thione | CAS Registry Number: 50-44-2
Synonyms: mercaptopurine, Mercapurin, Leupurin, Mercaleukin, Purinethiol, Purinethol, Leukerin, 6-Mercaptopurin, Ismipur, 6-Thioxopurine, 6-Purinethiol, 6-Thiopurine, Mern, Mercaleukim, Purimethol, Leukeran, Puri-Nethol, 6-Thiohypoxanthine, Purine-6-thiol, 3H-Purine-6-thiol

Molecular Formula: C5H4N4SMolecular Weight: 152.177060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GLVAUDGFNGKCSF-UHFFFAOYSA-N

• 2-Acetamido-2-Deoxy-Alpha-D-Glucopyranose
IUPAC Name: N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide | CAS Registry Number: 10036-64-3
Synonyms: 1rdn, 1ax0, UNII-T13TI5GH3D, N-Acetyl-alpha-D-glucosamine, N-acetyl-alpha-D-glucosaminides, CHEBI:27425, MolPort-000-146-208, CID82313, EINECS 233-115-1, ZINC03860151, SB01966, 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE, SR-01000634877-1, NDG, NAG

Molecular Formula: C8H15NO6Molecular Weight: 221.207800 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 6

InChIKey: OVRNDRQMDRJTHS-PVFLNQBWSA-N

• 6-chloro-2,4,5-Pyrimidinetriamine
IUPAC Name: 6-chloropyrimidine-2,4,5-triamine | CAS Registry Number: 1194-78-1
Synonyms: 6-chloropyrimidine-2,4,5-triamine, 2,4,5-TRIAMINO-6-CHLOROPYRIMIDINE, AC1L9T2R, CTK8G6622, MolPort-009-197-449, AKOS006305893, 2,4,5-Pyrimidinetriamine, 6-chloro-, RP22302, AK-28737, KB-248576, FT-0648354

Molecular Formula: C4H6ClN5Molecular Weight: 159.576940 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: BMCHNFZLERXZBI-UHFFFAOYSA-N


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