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Shenyang Research Institute of Chemical Industry

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Profile: Shenyang Research Institute of Chemical Industry offers fine chemicals such as agrichemicals, dyestuffs, intermediates and adjuvants. Our products include (R)-(+)-3-hydroxypiperdine hydrochloride, (S)-(+)-1,2,3,4-tetrahydro-1-naphthylamine and oxyfluorfen.

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• 2,6-Difluorobenzonitrile
IUPAC Name: 2,6-difluorobenzonitrile | CAS Registry Number: 1897-52-5
Synonyms: Benzonitrile, 2,6-difluoro-, 2,6-Difluoro-benzonitrile, 186783_ALDRICH, 2,6-DIFLUORO BENZONITRILE, ZINC00164372, BB_SC-4524, CID74695, JRD-0121, EINECS 217-589-7, TL8001545, InChI=1/C7H3F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3

Molecular Formula: C7H3F2NMolecular Weight: 139.102226 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BNBRIFIJRKJGEI-UHFFFAOYSA-N

• 2-Amino-5,6-Dichloro Benzothiazole
IUPAC Name: 5,6-dichloro-1,3-benzothiazol-2-amine | CAS Registry Number: 24072-75-1
Synonyms: CCRIS 742, 2-Benzothiazolamine, 5,6-dichloro-, 5,6-Dichlorobenzothiazol-2-amine, EINECS 246-006-9, 5,6-DICHLORO-2-BENZOTHIAZOLAMINE, 2-Amino-5,6-dichloro-benzothiazole, LS-1037, 5,6-Dichloro-1,3-benzothiazol-2-amine, SL-02027

Molecular Formula: C7H4Cl2N2SMolecular Weight: 219.091060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GHKHTBMTSUEBJD-UHFFFAOYSA-N

• 4-Carboxybenzaldehyde
IUPAC Name: 4-formylbenzoic acid | CAS Registry Number: 619-66-9
Synonyms: Benzoic acid, 4-formyl-, Terephthalaldehydic acid, p-Carboxybenzaldehyde, p-Formylbenzoic acid, Terephthaldehydic acid, 4-Carboxybenzaladehyde, 4-FORMYLBENZOIC ACID, 4-Formyl-benzoic acid, para-carboxybenzaldehyde, HSDB 5719, MLS001055479, Benzaldehyde-4-carboxylic acid, 124915_ALDRICH, 21873_FLUKA, EINECS 210-607-4, 4-Carboxybenzaldehyde treated BSA, NSC 15797, AIDS189650, AIDS-189650, NSC15797

Molecular Formula: C8H6O3Molecular Weight: 150.131440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GOUHYARYYWKXHS-UHFFFAOYSA-N

• 2-Chloro-5-Nitro Benzonitrile
IUPAC Name: 2-chloro-5-nitrobenzonitrile | CAS Registry Number: 16588-02-6
Synonyms: 2-Chloro-5-nitrobenzonitrile, Benzonitrile, 2-chloro-5-nitro-, 135712_ALDRICH, EINECS 240-643-6, 2-Chlor-5-nitrobenzonitril [German], NSC28973, ZINC00164503, LS-38665, ST5406624, TL8001273, T5654936

Molecular Formula: C7H3ClN2O2Molecular Weight: 182.563920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZGILLTVEEBNDOB-UHFFFAOYSA-N

• 3,5,6-Trichlorosalicylic Acid
IUPAC Name: 2,3,5-trichloro-6-hydroxybenzoate | CAS Registry Number: 40932-60-3
Synonyms: ZINC00056739, CID4739618

Molecular Formula: C7H2Cl3O3-Molecular Weight: 240.447980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IIHCUZVBIMTHEB-UHFFFAOYSA-M

• 4-Hydroxyphenyl amine
IUPAC Name: 4-(anilino)phenol | CAS Registry Number: 122-37-2
Synonyms: p-Anilinophenol, 4-Anilinophenol, p-Oxydiphenylamine, p-Hydroxydiphenylamine, Phenyl-p-aminophenol, Phenol, p-anilino-, 4-Phenylaminophenol, Phenol, 4-(phenylamino)-, 4-Hydroxydiphenylamine, N-Phenyl-p-aminophenol, p-Hydroxydifenylamin, P-ANILINO-PHENOL, Diphenylamine, 4-hydroxy-, p-(Phenylamino)phenol, VTI 1, WLN: QR DMR, p-Hydroxydifenylamin [Czech], para-Hydroxydifenylamin [Czech], Oprea1_025350, NSC1543

Molecular Formula: C12H11NOMolecular Weight: 185.221840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JTTMYKSFKOOQLP-UHFFFAOYSA-N

• 3,6-dichloro salicylic acid
IUPAC Name: dipotassium 3,6-dichloro-2-oxidobenzoate | CAS Registry Number: 3401-80-7
Synonyms: Dipotassium 3,6-dichlorosalicylate, EINECS 273-146-8, dipotassium 3,6-dichloro-2-oxidobenzoate, LS-195658, Benzoic acid, 3,6-dichloro-2-hydroxy-, dipotassium salt, Benzoic acid, 3,6-dichloro-2-hydroxy-, potassium salt (1:2), 68938-80-7

Molecular Formula: C7H2Cl2K2O3Molecular Weight: 283.191580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OCBVAAUEJHVUHR-UHFFFAOYSA-L

• 4-(2,4'-Dichlorophenxy)phenol
IUPAC Name: 4-(2,4-dichlorophenoxy)phenol | CAS Registry Number: 40843-73-0
Synonyms: 4-(2,4-Dichlorophenoxy)phenol, 4-(2,4-Dichlorophenoxy) phenol, EINECS 255-106-1, Phenol, 4-(2,4-dichlorophenoxy)-

Molecular Formula: C12H8Cl2O2Molecular Weight: 255.096720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DPRSKCAGYLXDCY-UHFFFAOYSA-N

• 1,5-Dihydroxy Naphthalene
IUPAC Name: naphthalene-1,5-diol | CAS Registry Number: 83-56-7
Synonyms: 1,5-Naphthalenediol, Oxidation Base, Durafur Developer E, 1,6-Naphthalenediol, 1,5-Dihydroxynapthalene, naphthalene-1,5-diol, 1,5-DIHYDROXYNAPHTHALENE, D115606_ALDRICH, C.I. 76625, NSC 7202, EINECS 201-487-4, NSC7202, AIDS017775, CI 76625, AIDS-017775, BRN 2044951, ZINC00388550, AI3-16636, LS-94568, ST5407897

Molecular Formula: C10H8O2Molecular Weight: 160.169320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: BOKGTLAJQHTOKE-UHFFFAOYSA-N

• 2,6-Dichloropyridine
IUPAC Name: 2,6-dichloropyridine | CAS Registry Number: 2402-78-0
Synonyms: 2,6-DICHLOROPYRIDINE, Pyridine, 2,6-dichloro-, WLN: T6NJ BG FG, CCRIS 1727, D73707_ALDRICH, EINECS 219-282-3, NSC 76606, NSC76606, BRN 0108664, ZINC00331613, D229, LS-131363, ST5214436, 5-20-05-00416 (Beilstein Handbook Reference), AC-907/25014035

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

InChIKey: FILKGCRCWDMBKA-UHFFFAOYSA-N

• 2-Methoxy-5-Acetamidoaniline
IUPAC Name: N-(3-amino-4-methoxyphenyl)acetamide | CAS Registry Number: 6375-47-9
Synonyms: 3-Amino-p-acetanisidide, 4-Acetamino-2-aminoanisole, 2-Amino-4-acetamino anisole, 3-Amino-4-methoxyacetanilide, p-Acetanisidide, 3'-amino-, 3'-Amino-4'-methoxyacetanilide, AIDS019214, CCRIS 9091, EINECS 228-938-8, Acetamide, N-(3-amino-4-methoxyphenyl)-, AIDS-019214, CID80779, SBB000217, ZINC00120146, N-(3-Amino-4-methoxyphenyl)acetamide, LS-169147

Molecular Formula: C9H12N2O2Molecular Weight: 180.203780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: SJWQCBCAGCEWCV-UHFFFAOYSA-N

• 4-Aminobenzamide
IUPAC Name: 4-aminobenzamide | CAS Registry Number: 2835-68-9
Synonyms: p-Aminobenzamide, Benzamide, 4-amino-, p-Carbamoylaniline, Benzamide, p-amino-, para-aminobenzamide, p-Aminobenzoic acid amide, CCRIS 6792, Oprea1_069284, Benzamide, p-amino- (8CI), 284572_ALDRICH, EINECS 220-612-3, NSC 36963, NSC 233920, NSC36963, NSC233920, ZINC00157169, LS-166276, ST5213825, TL8002252, C041338

Molecular Formula: C7H8N2OMolecular Weight: 136.151220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: QIKYZXDTTPVVAC-UHFFFAOYSA-N

• 5-Sulpho Anthranilic Acid
IUPAC Name: 2-amino-5-sulfobenzoic acid | CAS Registry Number: 3577-63-7
Synonyms: 5-Sulphoanthranilic acid, 2-Amino-5-sulfobenzoic acid, 5-SULFOANTHRANILIC ACID, Benzoic acid, 2-amino-5-sulfo-, EINECS 222-697-2, LS-1235, SL-00597

Molecular Formula: C7H7NO5SMolecular Weight: 217.199180 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: MJNYPLCGWXFYPD-UHFFFAOYSA-N

• 4-Butylaniline
IUPAC Name: 4-butylaniline | CAS Registry Number: 104-13-2
Synonyms: p-n-Butylaniline, 4-Butylbenzenamine, p-Aminobutylbenzene, p-Butylaminobenzene, Benzenamine, 4-butyl-, Aniline, p-butyl-, 1-Amino-4-butylbenzene, ANILINE, 4-BUTYL-, 112666_ALDRICH, EINECS 203-177-4, BRN 1447268, SBB008298, ZINC02041138, FR-1187, LS-19633, 4-12-00-02807 (Beilstein Handbook Reference)

Molecular Formula: C10H15NMolecular Weight: 149.232800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: OGIQUQKNJJTLSZ-UHFFFAOYSA-N

• 4-Acetyl-benzenesulfonyl chloride
IUPAC Name: 4-acetylbenzenesulfonyl chloride | CAS Registry Number: 1788-10-9
Synonyms: NCIOpen2_007056, 4-Acetylbenzenesulfonyl chloride, Acetophenone-4-sulfonyl chloride, 00933_FLUKA, ALBB-001008, NSC104128, SBB005811, FS000881

Molecular Formula: C8H7ClO3SMolecular Weight: 218.657380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: FXVDNCRTKXMSEZ-UHFFFAOYSA-N

• 2-Methyl-5-Amino Phenol
IUPAC Name: 5-amino-2-methylphenol | CAS Registry Number: 2835-95-2
Synonyms: 5-Amino-o-cresol, 5-Amino-2-methylphenol, 4-Amino-2-hydroxytoluene, 2-Hydroxy-p-toluidine, 3-Hydroxy-4-methylaniline, 6-Methyl-3-aminophenol, Ambap7779, Phenol, 5-amino-2-methyl-, CCRIS 4582, 3-AMINO-6-METHYLPHENOL, HSDB 7152, MLS001055501, 225088_ALDRICH, 4-Amino-2-hydroxy-1-methylbenzene, 08334_FLUKA, EINECS 220-618-6, AIDS019905, AIDS-019905, BRN 2802317, ZINC00394645

Molecular Formula: C7H9NOMolecular Weight: 123.152460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DBFYESDCPWWCHN-UHFFFAOYSA-N

• 3-Amino-N-[2-(2-hydroxyethyl)sulfonyl]ethyl benzamide
IUPAC Name: 3-amino-N-[2-(2-hydroxyethylsulfonyl)ethyl]benzamide | CAS Registry Number: 107294-87-1
Synonyms: SCHEMBL8517143, ZINC37594137, AKOS015912014, AK391894, 3-Amino-N-[2-(2-Hydroxyethyl)sulfonyl]ethylbenzamide, I14-36676, 3-Amino-N-(2-((2-hydroxyethyl)sulfonyl)ethyl)benzamide

Molecular Formula: C11H16N2O4SMolecular Weight: 272.319 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: CNJXPCYNPBIQRD-UHFFFAOYSA-N

• 4-Amino-N-[2-[(2-sulfooxy)ethyl]-sulfonyl]ethyl] benzamide,sodium
IUPAC Name: sodium;2-[2-[(4-aminobenzoyl)amino]ethylsulfonyl]ethyl sulfate | CAS Registry Number: 107294-90-6
Synonyms: AK393615, 4-Amino-N-[2-[(2-sulfooxy)ethyl]sulfonyl]ethyl]benzamide, Sodium 2-((2-(4-aminobenzamido)ethyl)sulfonyl)ethyl sulfate

Molecular Formula: C11H15N2NaO7S2Molecular Weight: 374.358 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: JJBIPMWUFYJPAW-UHFFFAOYSA-M

• (R)-3-Aminopyrrolidine
IUPAC Name: (3R)-pyrrolidin-3-amine | CAS Registry Number: 116183-82-5
Synonyms: (R)-pyrrolidin-3-amine, (3R)-(+)-3-Aminopyrrolidine, (3S)-Pyrrolidinamine, (R)-(+)-3-Aminopyrrolidine, AG-D-37492, (R)-3-Aminopyrrolidine dihydrochloride, PubChem5728, (3R)-pyrrolidin-3-amine, SureCN242920, AC1LU30J, 540781_ALDRICH, CTK3J4348, MolPort-000-000-472, ANW-16944, AKOS015854027, AC-13107, AK-80471, BP-12311, BR-80471, KB-03189

Molecular Formula: C4H10N2Molecular Weight: 86.135600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NGXSWUFDCSEIOO-SCSAIBSYSA-N

• 5-Chloro-2-nitrobenzotrifluoride
IUPAC Name: 4-chloro-1-nitro-2-(trifluoromethyl)benzene | CAS Registry Number: 118-83-2
Synonyms: C60805_ALDRICH, EINECS 204-280-7, SBB009905, ZINC00057136, 4-Chloro-1-nitro-2-(trifluoromethyl)benzene, Benzene, 4-chloro-1-nitro-2-(trifluoromethyl)-, 5-Chloro-2-nitro-alpha,alpha,alpha-trifluorotoluene, 5-Chloro-alpha,alpha,alpha-trifluoro-2-nitrotoluene, T5652305

Molecular Formula: C7H3ClF3NO2Molecular Weight: 225.552430 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: CFPIGEXZPWTNOR-UHFFFAOYSA-N

• 2-Nitrochlorobenzol-4-sulf-diethyl amide
IUPAC Name: 4-chloro-N,N-diethyl-3-nitrobenzenesulfonamide | CAS Registry Number: 127-53-7
Synonyms: CBDivE_007380, ZINC03885245, CID2833646

Molecular Formula: C10H13ClN2O4SMolecular Weight: 292.739220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: PQUNWYHOMQGOAT-UHFFFAOYSA-N

• 2'-Carboxyl-4-(N,N-Dibutyl)amino-2-hydroxy diphenone
IUPAC Name: 2-[4-(dibutylamino)-2-hydroxybenzoyl]benzoic acid | CAS Registry Number: 54574-82-2
Synonyms: MLS000550907, 402400_ALDRICH, BB_SC-2547, SMR000145035, 2-[4-(Dibutylamino)-2-hydroxybenzoyl]benzoic acid, 2-(4-Dibutylamino-2-hydroxy-benzoyl)-benzoic acid, Benzoic acid, 2-[4-(dibutylamino)-2-hydroxybenzoyl, Benzoic acid, 2-(4-(dibutylamino)-2-hydroxybenzoyl)-

Molecular Formula: C22H27NO4Molecular Weight: 369.454080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: QPNFUBAIQZJEPO-UHFFFAOYSA-N

• 3-Hydroxy-2'-methyldiphenylamine
IUPAC Name: 3-(2-methylanilino)phenol | CAS Registry Number: 6264-98-8
Synonyms: m-(o-Toluidino)phenol, 3-o-Tolyaminophenol, 179868_ALDRICH, EINECS 228-428-5, ZINC00154468, Phenol, 3-((2-methylphenyl)amino)-, ST5409861

Molecular Formula: C13H13NOMolecular Weight: 199.248420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: SUHWXARLXCIBFK-UHFFFAOYSA-N

• 2-Aminobenzothiazole
IUPAC Name: 1,3-benzothiazol-2-amine | CAS Registry Number: 136-95-8
Synonyms: 2-Benzothiazolamine, 2-AMINOBENZOTHIAZOLE, 2-Aminobenzthiazole, o-Aminobenzothiazole, 2-Benzothiazolylamine, Benzothiazole, 2-amino-, 2-Iminobenzothiazoline, Benzothiazol-2-ylamine, 2(3H)-Benzothiazolimine, 1,3-Benzothiazol-2-amine, USAF XR-27, Cerium(III) Ionophore, USAF EK-3941, 1,3-benzothiazol-2-ylamine, HSDB 2741, 108812_ALDRICH, WLN: T56 BN DSJ CZ, NSC 4670, 44967_FLUKA, EINECS 205-268-4

Molecular Formula: C7H6N2SMolecular Weight: 150.200940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UHGULLIUJBCTEF-UHFFFAOYSA-N

• (R)-3-Hydroxypyrrolidine hydrochloride
IUPAC Name: (3R)-pyrrolidin-3-ol;hydrochloride | CAS Registry Number: 104706-47-0
Synonyms: (R)-(-)-3-Pyrrolidinol hydrochloride, (R)-3-Hydroxypyrrolidine HCl, (r)-pyrrolidin-3-ol hydrochloride, (R)-3-Pyrrolidinol hydrochloride, (3R)-pyrrolidin-3-ol hydrochloride, r-3-hydroxypyrrolidine-hcl, 3r-pyrrolidinol hydrochloride, (r)-(+)-3-pyrrolidinol hydrochloride, (3r)-3-hydroxypyrrolidine hydrochloride, (R)-(-)-3-Hydroxypyrrolidine Hydrochloride, PubChem7469, SureCN16919, AC1MC06G, AC1Q3DR5, KSC491E6J, 430722_ALDRICH, Jsp000461, CTK3J1264, MolPort-000-004-317, (r)-pyrrolidine-3-ol hydrochloride

Molecular Formula: C4H10ClNOMolecular Weight: 123.581300 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: QPMSJEFZULFYTB-PGMHMLKASA-N

• 2,6-Dihydroxybenzoic Acid
IUPAC Name: 2,6-dihydroxybenzoic acid | CAS Registry Number: 303-07-1
Synonyms: gamma-Resorcylic acid, 2-Carboxyresorcinol, 2,6-Resorcylic acid, 6-Hydroxysalicylic acid, .gamma.-Resorcylic acid, Benzoic acid, 2,6-dihydroxy-, 2,6-DIHYDROXYBENZOIC ACID, gamma-Resorcylic acid (8CI), D109606_ALDRICH, EINECS 206-134-8, NSC 49172, BB_SC-2393, NSC49172, BRN 2209755, LS-37058, TL806248, 4-10-00-01456 (Beilstein Handbook Reference), BENZOIC ACID,2,6-DIHYDROXY MFC7 H6 O4, InChI=1/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11, GRE

Molecular Formula: C7H6O4Molecular Weight: 154.120140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: AKEUNCKRJATALU-UHFFFAOYSA-N

• 2-Hydroxy-1,2-phenylethanone
IUPAC Name: 2-hydroxy-1,2-di(phenyl)ethanone | CAS Registry Number: 119-53-9
Synonyms: BENZOIN, Sumatra benzoin, Resin benjamin, Styrax benzoin, Benzoin resin, Resin benzoin, Benjamin gum, Benzoin Malasia, Benzoin Sumatra, Siam benzoin, Benzoin gum, Benzoin usp, Gum sumatra, Benzoin absolute, Benzoin resinoid, Benzoin tincture, Benzoin Siam, Gum Benjamin, Anxixang, Gum benzoin siam

Molecular Formula: C14H12O2Molecular Weight: 212.243880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ISAOCJYIOMOJEB-UHFFFAOYSA-N

• 4-Amino-4'-tert butyl diphenyl ether
IUPAC Name: 4-(4-tert-butylphenoxy)aniline | CAS Registry Number: 145157-87-5
Synonyms: 4-(4-tert-butylphenoxy)aniline, STK259699, ZINC00991354, SureCN554687, AC1L33JA, MLS000686543, CTK7D7736, MolPort-001-499-326, HMS2528C11, AKOS002671028, AG-L-40713, MCULE-5761654920, NCGC00245618-01, SMR000268191, BB 0256551, I14-36651

Molecular Formula: C16H19NOMolecular Weight: 241.328160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FHOZTGQNSUZCIN-UHFFFAOYSA-N

• 2-Hydroxy-1-naphthoic acid
IUPAC Name: 2-hydroxynaphthalene-1-carboxylic acid | CAS Registry Number: 2283-08-1
Synonyms: Hydroxynaphthoic acid, Oprea1_586796, WLN: L66J BVQ CQ, H45809_ALDRICH, 1-Naphthalenecarboxylic acid, 2-hydroxy-, 1-NAPHTHOIC ACID, 2-HYDROXY-, NSC 2803, EINECS 218-919-2, NSC2803, EINECS 250-200-9, Naphthalenecarboxylic acid, hydroxy-, 1-Naphthoic acid, 2-hydroxy- (8CI), AI3-19839, LS-185509, ST5408171, 30440-92-7

Molecular Formula: C11H8O3Molecular Weight: 188.179420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: UPHOPMSGKZNELG-UHFFFAOYSA-N

• 2-Amino-6-Nitrobenzothiazole
IUPAC Name: 6-nitro-1,3-benzothiazol-2-amine | CAS Registry Number: 6285-57-0
Synonyms: 2-Benzothiazolamine, 6-nitro-, 6-Nitrobenzothiazol-2-amine, 6-Nitro-2-aminobenzothiazole, 2-AMINO-6-NITROBENZOTHIAZOLE, Maybridge1_005516, 6-Nitro-2-benzothiazolamine, Benzothiazole, 2-amino-6-nitro-, CCRIS 1391, NCIOpen2_000006, NCIOpen2_000201, DivK1c_001804, 190241_ALDRICH, 6-Nitro-1,3-benzothiazol-2-amine, EINECS 228-513-7, NSC 10794, NSC 62341, NSC 62980, NSC10794, NSC62341, NSC62980

Molecular Formula: C7H5N3O2SMolecular Weight: 195.198500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: GPNAVOJCQIEKQF-UHFFFAOYSA-N

• 4-Nitro-4'-t-butyl diphenylether
IUPAC Name: 1-tert-butyl-4-(4-nitrophenoxy)benzene | CAS Registry Number: 34859-82-0
Synonyms: 1-tert-butyl-4-(4-nitrophenoxy)benzene, STK391448, ZINC03156694, AC1MX21A, Oprea1_773486, SCHEMBL4670068, CHEMBL2270119, MolPort-002-320-055, ZWOYWHYRFBLDEV-UHFFFAOYSA-N, 4-(4-tert-butylphenoxy)nitrobenzene, AKOS005432516, MCULE-3694031810, 4-NITRO-4'-T-BUTYLDIPHENYLETHER, 4-[4-(tert-butyl)phenoxy]-1-nitrobenzene, ST51057908

Molecular Formula: C16H17NO3Molecular Weight: 271.311080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZWOYWHYRFBLDEV-UHFFFAOYSA-N

• 3-Amino-4-methoxyethoxyacetanilide
IUPAC Name: N-[3-amino-4-(2-methoxyethoxy)phenyl]acetamide | CAS Registry Number: 68385-79-5
Synonyms: EINECS 269-886-6, N-(3-Amino-4-(2-methoxyethoxy)phenyl)acetamide, Acetamide, N-(3-amino-4-(2-methoxyethoxy)phenyl)-

Molecular Formula: C11H16N2O3Molecular Weight: 224.256340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: HSOJAZLHMOYNJP-UHFFFAOYSA-N

• 2,5-Dimethyl Aniline
IUPAC Name: 2,5-dimethylaniline | CAS Registry Number: 95-78-3
Synonyms: 2,5-Dimethylaniline, p-Xylidine, 2,5-XYLIDINE, para-Xylidine, p-Dimethylaniline, 5-Methyl-o-toluidine, 6-Methyl-m-toluidine, 2,5-Xylidene, Benzenamine, 2,5-dimethyl-, 2-Amino-1,4-xylene, 2-Amino-p-xylene, 2,5-Dimethylbenzenamine, Aniline, 2,5-dimethyl-, 2,5-Dimethylphenylamine, 1-Amino-2,5-dimethylbenzene, 3-Amino-1,4-dimethylbenzene, 5-Amino-1,4-dimethylbenzene, CCRIS 4740, HSDB 2093, 2-Amino-1,4-dimethylbenzene

Molecular Formula: C8H11NMolecular Weight: 121.179640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VOWZNBNDMFLQGM-UHFFFAOYSA-N

• 2-Methyl-5-Nitrophenol
IUPAC Name: 2-methyl-5-nitrophenol | CAS Registry Number: 5428-54-6
Synonyms: 2-Methyl-5-nitrophenol, 5-Nitro-o-cresol, 5-Nitro-2-cresol, Phenol, 2-methyl-5-nitro-, o-Cresol, 5-nitro-, 2-Hydroxy-4-nitrotoluene, 2-Methyl-5-nitro-phenol, 423289_ALDRICH, NSC12987, NSC41203, NSC50664, EINECS 226-580-7, NSC 12987, NSC 41203, NSC 50664, ZINC00164798, SB 01762, TL806366, InChI=1/C7H7NO3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,9H,1H

Molecular Formula: C7H7NO3Molecular Weight: 153.135380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UMFDLIXUUJMPSI-UHFFFAOYSA-N

• 4-Tert-butylaniline
IUPAC Name: 4-tert-butylaniline | CAS Registry Number: 769-92-6
Synonyms: p-tert-Butylaniline, 4-tert-Butylaniline, 4-t-Butylbenzeneamine, 209864_ALDRICH, EINECS 212-215-9, SBB007738, ZINC04692849, Benzenamine, 4-(1,1-dimethylethyl)-, FR-0226, TL806325

Molecular Formula: C10H15NMolecular Weight: 149.232800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WRDWWAVNELMWAM-UHFFFAOYSA-N

• 4-Hydroxybenzoic Acid
IUPAC Name: 4-hydroxybenzoic acid | CAS Registry Number: 99-96-7
Synonyms: p-Hydroxybenzoic acid, 4-Carboxyphenol, p-Salicylic acid, 4-HYDROXYBENZOIC ACID, p-hydroxybenzoate, Paraben, 4-hydroxybenzoate, Benzoic acid, 4-hydroxy-, Benzoic acid, p-hydroxy-, 3pcc, 3pch, 4-Hydroxybenzoesaeure, Hydroxybenzoic acid, phenol derivative, 8, p-Oxybenzoesaure [German], Benzoic acid, p-hydroxy, Benzoic acid, 4-hydroxy, WLN: QVR DQ, CID135, Hydroxybenzenecarboxylic acid

Molecular Formula: C7H6O3Molecular Weight: 138.120740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FJKROLUGYXJWQN-UHFFFAOYSA-N

• 4-Cyanobenzoic Acid Methyl Ester
IUPAC Name: methyl 4-cyanobenzoate | CAS Registry Number: 1129-35-7
Synonyms: Methyl 4-cyanobenzoate, 230634_ALDRICH, 4-Cyanobenzoic acid methyl ester, EINECS 214-443-4, Benzoic acid, p-cyano-, methyl ester, Benzoic acid, 4-cyano-, methyl ester, ZINC00155229, LS-184908, ST5407998, AC-907/25014377, InChI=1/C9H7NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,1H

Molecular Formula: C9H7NO2Molecular Weight: 161.157380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: KKZMIDYKRKGJHG-UHFFFAOYSA-N

• 3-Amino-4-chloro benzamide
IUPAC Name: 3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione | CAS Registry Number: 19694-86-1
Synonyms: alpha-Succinimidoglutarimide, Glutarimide, 2-succinimido-, 3-Succinimido-2,6-dioxopiperidine, 3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione, 2,6-Piperidinedione, 3-(2,5-dioxo-1-pyrrolidinyl)-, 1608-85-1, AC1L34OR, AC1Q6G8O, 3'-Succinimidoglutarimide, DL-, CTK0H5129, AR-1D5145, AKOS015311226, AG-E-10493, LS-72111, A813882, 3-(2,5-dioxo-1-pyrrolidinyl)piperidine-2,6-dione, 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]piperidine-2,6-dione

Molecular Formula: C9H10N2O4Molecular Weight: 210.186700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HHSYPPYKDPFHGB-UHFFFAOYSA-N

• (R)-3-Hydroxy-1-benzylpyrrolidine
IUPAC Name: (3R)-1-benzylpyrrolidin-3-ol | CAS Registry Number: 101930-07-8
Synonyms: (R)-(+)-1-Benzyl-3-pyrrolidinol, (R)-1-Benzyl-3-hydroxypyrrolidine, (r)-1-n-benzyl-3-hydroxypyrrolidine, (R)-1-Benzyl-3-pyrrolidinol, (3R)-1-benzylpyrrolidin-3-ol, r-bhp, (r)-n-benzyl-3-hydroxypyrrolidine, (r)-3-hydroxy-1-benzylpyrrolidine, (r)-n-benzyl-3-pyrrolidinol, (R)-1-Benzylpyrrolidin-3-ol, r-3-n-benzyl-hydroxypyrrolidine, (3r)-(+)-n-benzyl-3-pyrrolidinol, (R)-3-Hydroxy-1-benzyl-pyrrolidine, (r)-(+)-n-benzyl 3-hydroxypyrrolidine, 3-Pyrrolidinol, 1-(phenylmethyl)-, PubChem13096, AC1LD7AY, SureCN741364, 366935_ALDRICH, AC1Q59J3

Molecular Formula: C11H15NOMolecular Weight: 177.242900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YQMXOIAIYXXXEE-LLVKDONJSA-N

• 4-Methylaniline-3-sulfonic acid
IUPAC Name: 5-amino-2-methylbenzenesulfonic acid | CAS Registry Number: 118-88-7
Synonyms: 4-Amino-2-sulfotoluene, 4-Methyl-3-sulfoaniline, p-Toluidine-o-sulfonic acid, 5-Amino-o-toluenesulfonic acid, 4-Aminotoluene-2-sulphonic acid, 3-Amino-6-methylbenzenesulfonic acid, 5-Amino-2-methylbenzenesulfonic acid, NSC5586, o-Toluenesulfonic acid, 5-amino-, NSC22958, EINECS 204-282-8, NSC 22958, Benzenesulfonic acid, 5-amino-2-methyl-, 5-Amino-2-Methyl-Benzenesulfonic acid, o-Toluenesulfonic acid, 5-amino- (8CI), AI3-23219, TL8000507, 5-AMINO-1-METHYLBENZENESULFONIC ACID, 83156-57-4

Molecular Formula: C7H9NO3SMolecular Weight: 187.216260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: BRKFTWHPLMMNHF-UHFFFAOYSA-N

• (S)-3-Aminopyrrolidine
IUPAC Name: (3S)-pyrrolidin-3-amine | CAS Registry Number: 128345-57-3
Synonyms: (3S)-(-)-3-Aminopyrrolidine, (S)-pyrrolidin-3-amine, (S)-(-)-3-Aminopyrrolidine, AG-D-58481, PubChem5729, (3S)-3-Aminopyrrolidine, (3S)-pyrrolidin-3-amine, SureCN336177, 3-Pyrrolidinamine,(3S)-, AC1LU30H, 540803_ALDRICH, CTK4B5913, MolPort-000-000-473, ANW-19062, AKOS006238850, AKOS015854202, AK109063, KB-01633, FT-0081989, A44020

Molecular Formula: C4H10N2Molecular Weight: 86.135600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NGXSWUFDCSEIOO-BYPYZUCNSA-N

• 4-amino-N-methyl-benzenesulfonamide
IUPAC Name: 4-amino-N-methylbenzenesulfonamide | CAS Registry Number: 1709-52-0
Synonyms: N'-Methylsulfanilamide, N1-METHYLSULFANILAMIDE, 4-Amino-N-methylbenzenesulfonamide, N(sup 1)-Methylsulfanilamide, CCRIS 6814, Sulfanilamide, N(sup 1)-methyl-, ALBB-000043, BRN 2366812, NSC137232, SBB005913, ZINC01722947, Benzenesulfonamide, 4-amino-N-methyl-, LS-147818, Benzenesulfonamide, 4-amino-N-methyl- (9CI), 4-14-00-02659 (Beilstein Handbook Reference)

Molecular Formula: C7H10N2O2SMolecular Weight: 186.231500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: OISQSDKFWKJEBA-UHFFFAOYSA-N

• 1,4-Dicyanonahthalene
IUPAC Name: naphthalene-1,4-dicarbonitrile | CAS Registry Number: 3029-30-9
Synonyms: ghl.PD_Mitscher_leg0.246, 1,4-Naphthalenedicarbonitrile, Naphthalene-1,4-dicarbonitrile, EINECS 221-197-1, NSC128542, ZINC01716992, ST5408512

Molecular Formula: C12H6N2Molecular Weight: 178.189440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BENSWQOUPJQWMU-UHFFFAOYSA-N

• 2-Cyanobenzimidazole
IUPAC Name: 1H-benzimidazole-2-carbonitrile | CAS Registry Number: 6868-37-7
Synonyms: 1H-benzimidazole-2-carbonitrile, AG-G-65415, benzimidazole-2-carbonitrile, BAS 04934119, SureCN244929, AC1LHU03, CTK2F2685, 1H-Benzoimidazole-2-carbonitrile, MolPort-001-999-268, HMS1682P06, 1H-Benzo[d]imidazole-2-carbonitrile, SBB072845, ZINC00374942, 2-BENZO[D]IMIDAZOLCARBONITRILE, AKOS000599636, MCULE-4739467918, AK116304, KB-20900, FT-0694361, ST45029362

Molecular Formula: C8H5N3Molecular Weight: 143.145400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VEKMJKMSTPFHQD-UHFFFAOYSA-N

• 4-Chloro-2-nitroanisole
IUPAC Name: 4-chloro-1-methoxy-2-nitrobenzene | CAS Registry Number: 89-21-4
Synonyms: p-Chloro-o-nitroanisole, Anisole, 4-chloro-2-nitro-, NSC8445, 4-CHLORO-2-NITRO ANISOLE, Benzene, 4-chloro-1-methoxy-2-nitro-, EINECS 201-887-9, ZINC01586743, AI3-01524, ST5405431, InChI=1/C7H6ClNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H

Molecular Formula: C7H6ClNO3Molecular Weight: 187.580440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OSAYFGJUEOYRHY-UHFFFAOYSA-N

• 2,5-Diethoxy-4-chloro nitrobenzene
IUPAC Name: 1-chloro-2,5-diethoxy-4-nitrobenzene | CAS Registry Number: 91-43-0
Synonyms: 2,5-Diethoxy-4-nitrochlorobenzene, 5-Chloro-2-nitro-p-diethoxybenzene, NSC60284, CID66675, Benzene, 1-chloro-2,5-diethoxy-4-nitro-, EINECS 202-067-3, NSC 60284, ZINC00158152, 1-Chloro-2,5-diethoxy-4-nitrobenzene, ST5409246

Molecular Formula: C10H12ClNO4Molecular Weight: 245.659580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: HWLDAZMGMQYWGW-UHFFFAOYSA-N


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