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Shanghai Zealing Chemical Co., Ltd.

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Profile: Shanghai Zealing Chemical Co., Ltd. is engaged in advanced chemical intermediates for the pharmaceutical/biotech industry, either by custom synthesis or by contract.

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• 3-amino-3-(2-trifluoromethyl-phenyl)-propionic Acid
IUPAC Name: 3-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid | CAS Registry Number: 299165-24-5
Synonyms: 3-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid, 3-Amino-3-(2-(trifluoromethyl)phenyl)propanoic acid, ST50999741, 3-Amino-3-(2-trifluoromethyl-phenyl)-propionic acid, 3-Amino-3-(2-trifluoromethyl-phenyl)propionic acid, Enamine_000659, zlchem 572, ACMC-209oyz, AC1NOZ2Z, CTK4G4051, ZLD0010, HMS1395N21, ACT05929, AKOS000190728, AB08426, AG-E-97723, AK139912, KB-180547, FT-0659302, TL80073832

Molecular Formula: C10H10F3NO2Molecular Weight: 233.187110 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: MXKROQQTKYAUJB-UHFFFAOYSA-N

• 2'-Bromo-3,4-dichlorophenylacetic acid methyl ester
IUPAC Name: ethyl 2-bromo-2-(3,4-dichlorophenyl)acetate | CAS Registry Number: 41204-08-4
Synonyms: zlchem 1043, ZLD0509, ACT01132, KB-48460, Bromo-3,4-dichlorophenylacetic acid ethyl ester, |A-Bromo-3,4- dichlorophenylacetic acid ethyl ester, 2'-Bromo-3,4-dichlorophenylacetic acid ethyl ester, alpha-Bromo-3,4-Dichlorophenylacetic acid ethyl ester

Molecular Formula: C10H9BrCl2O2Molecular Weight: 311.987260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YFJFMJXQSOSNLE-UHFFFAOYSA-N

• 3-Bromo-2-(bromomethyl)propionic acid
IUPAC Name: 3-bromo-2-(bromomethyl)propanoic acid | CAS Registry Number: 41459-42-1
Synonyms: .beta.,.beta.-Dibromoisobutyric acid, 301620_ALDRICH, 16493_FLUKA, beta,beta'-Dibromoisobutyric acid, CID318915, NSC259720, 3-Bromo-2-(bromomethyl)propanoic acid, Propanoic acid, 3-bromo-2-(bromomethyl)-, TL8002996

Molecular Formula: C4H6Br2O2Molecular Weight: 245.897240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QQZJWQCLWOQDQV-UHFFFAOYSA-N

• 2-(3-Benzoylphenyl)propionitrile
IUPAC Name: 2-[3-(benzoyl)phenyl]propanenitrile | CAS Registry Number: 42872-30-0
Synonyms: 2-(m-Benzoylphenyl)propionitrile, 196347_ALDRICH, EINECS 255-982-5, BRN 2844731, LS-29023, 24336 R.P, TL8007037, 24336 R.P., BENZENEACETONITRILE, 3-BENZOYL-alpha-METHYL-, Benzeneacetonitrile, 3-benzoyl-.alpha.-methyl-

Molecular Formula: C16H13NOMolecular Weight: 235.280520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RGYOCHMZSLUCNP-UHFFFAOYSA-N

• 1-Butylboronic Acid
IUPAC Name: butylboronic acid | CAS Registry Number: 4426-47-5
Synonyms: 1-Butaneboronic acid, Propylboronic acid, BUTYLBORONIC ACID, n-Butylboronic acid, 1-Butyldihydroxyborane, 1-BUTANE BORONIC ACID, 163244_ALDRICH, 19667_FLUKA, EINECS 224-607-7, DB02664, TL8003084, InChI=1/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H

Molecular Formula: C4H11BO2Molecular Weight: 101.939940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: QPKFVRWIISEVCW-UHFFFAOYSA-N

• 3-Carboxyphenylboronic Acid
IUPAC Name: 3-boronobenzoic acid | CAS Registry Number: 25487-66-5
Synonyms: 3-Boronobenzoic acid, 3-Carboxyphenylboronic acid, 456764_ALDRICH, ALBB-006101, FS000841, ST5405809, TL8002069

Molecular Formula: C7H7BO4Molecular Weight: 165.939080 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: DBVFWZMQJQMJCB-UHFFFAOYSA-N

• (S)-N-boc-3-Pyrrolidinol
IUPAC Name: tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate | CAS Registry Number: 101469-92-5
Synonyms: (S)-1-N-Boc-3-hydroxypyrrolidine, (S)-1-Boc-3-hydroxypyrrolidine, (S)-(+)-1-Boc-3-hydroxypyrrolidine, (S)-(+)-N-Boc-3-pyrrolidinol, (S)-1-Boc-3-pyrrolidinol, s-bochp, (S)-N-Boc-3-pyrrolidinol, (S)-1-(tert-Butoxycarbonyl)-3-pyrrolidinol, (S)-tert-butyl 3-hydroxypyrrolidine-1-carboxylate, tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate, (S)-N-tboc-3-pyrrolidinol, (S)-3-hydroxypyrrolidine, n-boc protected, (S)-Boc-3-hydroxypyrrolidine, (S)-(+)-Boc-3-pyrrolidinol, (S)-N-Boc-3-hydroxypyrrolidine, N-boc-(S)-3-hydroxypyrrolidine, n-t-boc-(s)-3-hydroxypyrrolidine, (S)-1-(tert-Butoxycarbonyl)-3-hydroxypyrrolidine, N-(tert-Butoxycarbonyl)-(S)-(+)-3-pyrrolidinol, (3s)-(+)-n-boc-3-hydroxypyrrolidine

Molecular Formula: C9H17NO3Molecular Weight: 187.236180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: APCBTRDHCDOPNY-ZETCQYMHSA-N

• 2-Amino-5-Methyl Benzothiazole
IUPAC Name: 5-methyl-1,3-benzothiazol-2-amine | CAS Registry Number: 14779-17-0
Synonyms: 2-Amino-5-methylbenzothiazole, 5-Methyl-2-aminobenzothiazole, 2-Benzothiazolamine, 5-methyl-, NSC 45346, BENZOTHIAZOLE, 2-AMINO-5-METHYL-, WLN: T56 BN DSJ CZ G1, CID26889, NSC44453, NSC45346, BRN 0122353, STK281617, 2-Benzothiazolamine, 5-methyl- (9CI), LS-40679, 4-27-00-04908 (Beilstein Handbook Reference)

Molecular Formula: C8H8N2SMolecular Weight: 164.227520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MELAGXOBBSTJPI-UHFFFAOYSA-N

• 2-Methyl-4-Amino Phenol
IUPAC Name: 4-amino-2-methylphenol | CAS Registry Number: 2635-95-2
Synonyms: 4-Amino-2-methylphenol, 4-Amino-o-cresol, 2835-96-3, p-Amino-o-cresol, Phenol, 4-amino-2-methyl-, ST51045637, 4-amino-2-cresol, ZINC01669677, zlchem 780, o-Cresol, 4-amino-, ACMC-1CJPR, 4-Amino-2 methylphenol, AC1Q7AER, SureCN33808, 4-Amino-2-methyl-phenol, 4-azanyl-2-methyl-phenol, 4-Hydroxy-3-methylaniline, UNII-CS8D10SY5L, AC1L2Q4Y, 225053_ALDRICH

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

InChIKey: HDGMAACKJSBLMW-UHFFFAOYSA-N

• 3-Methylbenzophenone
IUPAC Name: (3-methylphenyl)-phenylmethanone | CAS Registry Number: 643-65-2
Synonyms: 3-Methyl-benzophenone, Benzophenone, 3-methyl-, 198056_ALDRICH, Methanone, (3-methylphenyl)phenyl-, ZINC01845874, CID69511, EINECS 211-401-7, TL8004555

Molecular Formula: C14H12OMolecular Weight: 196.244480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: URBLVRAVOIVZFJ-UHFFFAOYSA-N

• 5-Bromo Salicyl alcohol
IUPAC Name: 4-bromo-2-(hydroxymethyl)phenol | CAS Registry Number: 2316-64-5
Synonyms: Bromosaligenin, Bromsalizol, 5-Bromosaligenin, 5-Bromosalicyl alcohol, 5-bromosalicyl alcohol, 5-Bromo-2-hydroxybenzyl alcohol, 197009_ALDRICH, Benzyl alcohol, 5-bromo-2-hydroxy-, Benzenemethanol, 5-bromo-2-hydroxy-, NSC13010, EINECS 219-026-0, ZINC00159251, ST5307713, TL8007345, InChI=1/C7H7BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-3,9-10H,4H

Molecular Formula: C7H7BrO2Molecular Weight: 203.033280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: KNKRHSVKIORZQB-UHFFFAOYSA-N

• 5-Chloro Uracil
IUPAC Name: 5-chloro-1H-pyrimidine-2,4-dione | CAS Registry Number: 1820-81-1
Synonyms: 5-CHLOROURACIL, Uracil, 5-chloro-, 2,4(1H,3H)-Pyrimidinedione, 5-chloro-, Uracil, 5-chloro- (VAN), 224588_ALDRICH, NSC28172, EINECS 217-339-7, 5-Chloro-2,4-dihydroxypyrimidine, NSC 28172, AIDS081812, AIDS-081812, SBB004103, ZINC01646314, Uracil, 5-chloro- (VAN) (8CI), AI3-26560, 5-chloropyrimidine-2,4(1H,3H)-dione, NCI60_002298, LS-158598, InChI=1/C4H3ClN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9

Molecular Formula: C4H3ClN2O2Molecular Weight: 146.531820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZFTBZKVVGZNMJR-UHFFFAOYSA-N

• 4-Bromoisoxazole
IUPAC Name: 4-bromo-1,2-oxazole | CAS Registry Number: 97925-43-4
Synonyms: 4-bromo-1,2-oxazole, AG-H-98391, 4-Bromo isoxazole, 4-Bromoisoxazole,, zlchem 1329, AC1MYTZL, 4-BORMOISOXAZOLE, SureCN438299, ISOXAZOLE, 4-BROMO-, ACMC-209s98, CTK3I6472, ZLE0107, MolPort-000-141-098, ACT08067, Isoxazole, 4-bromo- (6CI,9CI), ANW-40890, OR7800, WTI-11257, ZINC04235230, AKOS005257550

Molecular Formula: C3H2BrNOMolecular Weight: 147.958080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IRDVIGFQMLUJAM-UHFFFAOYSA-N

• 3-Bromo-2-Methyl-5-Thienylboronic Acid
IUPAC Name: (4-bromo-5-methylthiophen-2-yl)boronic acid | CAS Registry Number: 154566-69-5
Synonyms: 4-Bromo-5-methylthiophene-2-boronic acid, 5-Methyl-4-bromothiophen-2-ylboronic acid, 3-Bromo-2-methyl-5-thienylboronic acid, 4-bromo-5-methylthiophen-2-ylboronic acid, zlchem 636, ACMC-1BWDD, SureCN2186108, CTK4C8321, ZLD0086, MolPort-015-143-313, ACT05947, ANW-21516, SBB071382, AKOS015834571, AB55299, AG-E-02545, QC-6072, AK-25458, KB-37248, FT-0655948

Molecular Formula: C5H6BBrO2SMolecular Weight: 220.879940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CVCCYVWSTHTZFM-UHFFFAOYSA-N

• 5-Bromo Indole
IUPAC Name: 5-bromo-1H-indole | CAS Registry Number: 10075-50-0
Synonyms: 5-BROMOINDOLE, 1H-Indole, 5-bromo-, Maybridge1_006195, NCIOpen2_000472, B68607_ALDRICH, NSC75581, 1H-Indole, 5-bromo- (9CI), CID24905, EINECS 233-208-7, NSC 75581, ZINC00081120, B2310G25, ST5330596, TL80073616, B-8420, B-8424, SR-01000632498-1, InChI=1/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10

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

InChIKey: VXWVFZFZYXOBTA-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

• 5-Chloro-indole
IUPAC Name: 5-chloro-1H-indole | CAS Registry Number: 17422-32-1
Synonyms: 5-Chloroindole, 5-Chloro-1H-indole, 1H-Indole, 5-chloro-, C47604_ALDRICH, 1H-Indole, 5-chloro- (9CI), BB_SC-1608, ALBB-006063, NSC89562, EINECS 241-448-9, NSC 89562, ZINC00157082, TL8006229, C-4218, C-4220, InChI=1/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10

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

InChIKey: MYTGFBZJLDLWQG-UHFFFAOYSA-N

• 5-Bromo-1-indanone
IUPAC Name: 5-bromo-2,3-dihydroinden-1-one | CAS Registry Number: 34598-49-7
Synonyms: 1-Indanone, 5-bromo-, 433098_ALDRICH, ZINC00156323, 1H-Inden-1-one, 5-bromo-2,3-dihydro-, 5-Bromo-2,3-dihydro-1H-inden-1-one, ST5307005, TL8002578, InChI=1/C9H7BrO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H

Molecular Formula: C9H7BrOMolecular Weight: 211.055280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: KSONICAHAPRCMV-UHFFFAOYSA-N

• 2,5-Diamionpyrimidine
IUPAC Name: pyrimidine-2,5-diamine | CAS Registry Number: 22715-27-1
Synonyms: Pyrimidine, 2,5-diamino-, NSC22476, ST5437579

Molecular Formula: C4H6N4Molecular Weight: 110.117240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DNACGYGXUFTEHO-UHFFFAOYSA-N

• 6-Iodouracil
IUPAC Name: 6-iodo-1H-pyrimidine-2,4-dione | CAS Registry Number: 4269-94-7
Synonyms: NSC51094, CID96083, NSC 51094, 2,4(1H,3H)-Pyrimidinedione, 6-iodo-, TL8003028

Molecular Formula: C4H3IN2O2Molecular Weight: 237.983290 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: KSLZHGYKGYWHOO-UHFFFAOYSA-N

• 2-Fluoro-4-methylaniline
IUPAC Name: 2-fluoro-4-methylaniline | CAS Registry Number: 452-80-2
Synonyms: 2-Fluoro-p-toluidine, 4-Amino-3-fluorotoluene, p-Toluidine, 2-fluoro-, WLN: ZR BF D1, Benzenamine, 2-fluoro-4-methyl-, 337110_ALDRICH, NSC147489, NSC 147489, CID67984, BRN 2637578, SBB006650, ZINC00389592, Benzenamine, 2-fluoro-4-methyl- (9CI), LS-154377, TL8003148, 4-12-00-01981 (Beilstein Handbook Reference)

Molecular Formula: C7H8FNMolecular Weight: 125.143523 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZQEXBVHABAJPHJ-UHFFFAOYSA-N

• 1-acetyl-4-iodo-1H-pyrazole
IUPAC Name: 1-(4-iodopyrazol-1-yl)ethanone | CAS Registry Number: 98027-52-2
Synonyms: zlchem 889, AGN-PC-00P0PK, SureCN3907527, 1-Aetyl-4-iodo-1H-pyrazole, 1-(4-iodo-1-pyrazolyl)ethanone, 1-(4-iodopyrazol-1-yl)ethanone, ZLD0350, 1H-Pyrazole, 1-acetyl-4-iodo-, MolPort-003-987-495, 1-(4-iodanylpyrazol-1-yl)ethanone, ACT05680, ZINC21301159, U846, KB-151723, TL8006032, FT-0653361, ST51056494, A845792, S14-0595

Molecular Formula: C5H5IN2OMolecular Weight: 236.010470 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VQBDZJOQOOMNRZ-UHFFFAOYSA-N

• 4-benzylidene-2-methyl-4H-oxazol-5-one
IUPAC Name: 2-methyl-4-(phenylmethylidene)-1,3-oxazol-5-one | CAS Registry Number: 881-90-3
Synonyms: Maybridge1_006455, NSC10132, ZINC00047878, 105356-71-6

Molecular Formula: C11H9NO2Molecular Weight: 187.194660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BWQBTJRPSDVWIR-UHFFFAOYSA-N

• 9,10-Dihydro-9-oxoacridine
IUPAC Name: 10H-acridin-9-one | CAS Registry Number: 578-95-0
Synonyms: acridone, Acridanone, 9-Acridanone, 9-Acridone, Acridin-9-one, 9(10H)-ACRIDINONE, 9-Acridinol, 9(10H)-Acridone, acridin-9(10H)-one, 10H-acridin-9-one, 9(10H)-Acridanone, 7H-Dibenz(a,j)acrid-14-one, CCRIS 3317, Acridine, 9,10-dihydro-9-oxo-, MLS000551242, 150215_ALDRICH, ARONIS001302, 01670_FLUKA, CHEBI:50756, EINECS 209-434-7

Molecular Formula: C13H9NOMolecular Weight: 195.216660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FZEYVTFCMJSGMP-UHFFFAOYSA-N

• 2-(2,4-Difluorophenoxy)pyridin-3-amine
IUPAC Name: 2-(2,4-difluorophenoxy)pyridin-3-amine | CAS Registry Number: 175135-63-4
Synonyms: 3-Amino-2-(2,4-difluorophenoxy)pyridine, 2-(2,4-difluorophenoxy)pyridin-3-amine, SBB051820, 2-(2,4-difluorophenoxy)-3-pyridylamine, ZINC00093337, zlchem 686, PubChem2980, AC1MC4DV, Maybridge1_001738, SureCN400328, MLS000851022, AC1Q517W, CTK4D5209, HMS546G22, ZLD0138, MolPort-000-141-793, HMS2793C11, ACT01551, ANW-47147, AKOS000138267

Molecular Formula: C11H8F2N2OMolecular Weight: 222.190826 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: LCPVQAHEFVXVKT-UHFFFAOYSA-N

• 4-(1h-Pyrazol-1-Yl)Benzylamine
IUPAC Name: (4-pyrazol-1-ylphenyl)methanamine | CAS Registry Number: 368870-03-5
Synonyms: 4-(1H-Pyrazol-1-yl)benzylamine, 1-[4-(1H-pyrazol-1-yl)phenyl]methanamine, 4-Pyrazol-1-yl-benzylamine, (4-pyrazol-1-ylphenyl)methanamine, [4-(pyrazol-1-yl)phenyl]methanamine, SBB021984, 1-[4-(Aminomethyl)phenyl]-1H-pyrazole, [4-(1H-pyrazol-1-yl)phenyl]methanamine, [4-(1H-Pyrazol-1-yl)phenyl]methylamine, (4-pyrazolylphenyl)methylamine, (4-(1H-PYRAZOL-1-YL)PHENYL)METHANAMINE, SDCCGMLS-0066006.P001, zlchem 1086, PubChem22753, SureCN45348, AC1MCR06, AC1Q53XT, AC1Q53XU, Oprea1_708203, CTK4H7344

Molecular Formula: C10H11N3Molecular Weight: 173.214440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AVKMXPDYQVKSFF-UHFFFAOYSA-N

• (R)-(+)-3-Boc-2,2-Dimethyloxazolidine-4-Carboxaldehyde
IUPAC Name: tert-butyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate | CAS Registry Number: 95715-87-0
Synonyms: AmbTiB65020, 462063_ALDRICH, MolPort-000-001-768, ZINC00056978, CID178792, (+)-N-Boc-N,O-isopropylidene-D-serinal, B65020, (R)-3-Boc-4-formyl-2,2-dimethyl-1,3-oxazolidine, (R)-(+)-3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde, tert-Butyl (R)-(+)-4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate

Molecular Formula: C11H19NO4Molecular Weight: 229.272860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: PNJXYVJNOCLJLJ-QMMMGPOBSA-N

• 7-Methyl-2-Propyl-1h-Benzoimidazole-5-Carboxylic Acid Methyl Ester
IUPAC Name: methyl 7-methyl-2-propyl-3H-benzimidazole-5-carboxylate | CAS Registry Number: 152628-00-7
Synonyms: Methyl 4-methyl-2-propyl-1H-benzimidazole-6-carboxylate, Methyl 7-methyl-2-propyl-1H-benzo[d]imidazole-5-carboxylate, zlchem 379, 2-IODTHIOPHENE, SCHEMBL159894, BEN181, CTK8H0576, ZLC0223, DEFDQXCQBZEOGY-UHFFFAOYSA-N, MolPort-027-835-523, ZINC34279246, AKOS016009584, AC-6374, AJ-87789, AK111137, AN-10110, AB0109328, DB-050274, RT-013837, FT-0659466

Molecular Formula: C13H16N2O2Molecular Weight: 232.278340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DEFDQXCQBZEOGY-UHFFFAOYSA-N

• 2-Amino-4-hydroxy-1H-pteridine
IUPAC Name: 2-amino-1H-pteridin-4-one | CAS Registry Number: 2236-60-4
Synonyms: Pterin, Pteridoxamine, 4-Oxopterin, Pterine, 2-Amino-4-hydroxypteridine, 2-Amino-4-pteridone, Pterin (VAN), H2-pterin, 2-Amino-4(1H)-pteridinone, 2-aminopteridin-4-ol, 2-Amino-4-pteridinol, 2-Amino-1H-pteridin-4-one, 2-Amino-4(3H)-pteridinone, 2-Amino-4-oxopteridine, 4(1H)-Pteridinone, 2-amino-, Quinonoid dihydropterin, 2-amino-, Oprea1_553855, 2-aminopteridin-4(1H)-one, 2-aminopteridin-4(3H)-one, 2-Amino-4-oxodihydropteridine

Molecular Formula: C6H5N5OMolecular Weight: 163.136800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: HNXQXTQTPAJEJL-UHFFFAOYSA-N

• 2-Chloro-3-Nitropyridine
IUPAC Name: 2-chloro-3-nitropyridine | CAS Registry Number: 5470-18-8
Synonyms: 2-Chloro-3-nitropyridine, 3-Nitro-2-chloropyridine, Pyridine, 2-chloro-3-nitro-, C61607_ALDRICH, 25600_FLUKA, BB_SC-2086, NSC26279, EINECS 226-799-8, NSC 26279, ZINC00164421, C116, TL8003585, InChI=1/C5H3ClN2O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3

Molecular Formula: C5H3ClN2O2Molecular Weight: 158.542520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UUOLETYDNTVQDY-UHFFFAOYSA-N

• 2'-Hydroxyacetophenone
IUPAC Name: 1-(2-hydroxyphenyl)ethanone | CAS Registry Number: 118-93-4
Synonyms: 2-Acetylphenol, o-Acetylphenol, Acetophenone, 2'-hydroxy-, O-HYDROXYACETOPHENONE, Acetophenone, o-hydroxy-, 1-(2-Hydroxyphenyl)ethanone, Ethanone, 1-(2-hydroxyphenyl)-, USAF KE-20, o-Hydroxyphenyl methyl ketone, 2-Hydroxyphenyl methyl ketone, Methyl 2-hydroxyphenyl ketone, FEMA No. 3548, WLN: QR BV1, H18607_ALDRICH, ACETOPHENONE,2-HYDROXY, W354805_ALDRICH, 54150_FLUKA, EINECS 204-288-0, NSC9263, NSC 16933

Molecular Formula: C8H8O2Molecular Weight: 136.147920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JECYUBVRTQDVAT-UHFFFAOYSA-N

• 2-Naphthylamines
IUPAC Name: naphthalen-2-amine | CAS Registry Number: 91-59-8
Synonyms: 2-Naphthalenamine, 2-NAPHTHYLAMINE, beta-Naphthylamine, 2-Aminonaphthalene, 6-Naphthylamine, naphthalen-2-amine, 2-Naphthalamine, beta-Naftilamina, 2 Naphthylamine, 2-naftilamina, 2-Naphthylamin, beta-Naphthylamin, beta Naphthylamine, 2 Aminonaphthalene, Fast Scarlet Base B, 2-Naftylamin [Czech], 2-Naphthylamine mustard, 2-Naftylamine [Dutch], beta-Naftalamin [Czech], beta-Naftylamin [Czech]

Molecular Formula: C10H9NMolecular Weight: 143.185160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: JBIJLHTVPXGSAM-UHFFFAOYSA-N

• 3,4,5-Trimethoxybenzoyl Chloride
IUPAC Name: 3,4,5-trimethoxybenzoyl chloride | CAS Registry Number: 4521-61-3
Synonyms: Trimethylgalloyl chloride, 3,4,5-Trimethoxybenzoyl chloride, Tri-O-methylgalloyl chloride, NCIOpen2_005468, T69809_ALDRICH, Benzoyl chloride, 3,4,5-trimethoxy-, NSC91023, EINECS 224-851-4, NSC 91023, ZINC01586815, ST5214062

Molecular Formula: C10H11ClO4Molecular Weight: 230.644940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: BUHYMJLFRZAFBF-UHFFFAOYSA-N

• 4-Aminobenzotrifluoride
IUPAC Name: 4-(trifluoromethyl)aniline | CAS Registry Number: 455-14-1
Synonyms: p-Aminobenzotrifluoride, p-Trifluoromethylaniline, 4-Trifluoromethylaniline, 4-(Trifluoromethyl)aniline, Benzenamine, 4-(trifluoromethyl)-, WLN: ZR CXFFF, 4-(Trifluoromethyl)benzenamine, Aniline, p-(trifluoromethyl)-, p-(Trifluoromethyl)aniline, 224936_ALDRICH, 07071_FLUKA, alpha,alpha,alpha-Trifluoro-p-toluidine, EINECS 207-236-5, NSC 10337, alpha,alpha,alpha-Trifluoro-p-anisidine, JRD-0149, NSC10337, BRN 1564853, SBB003956, ZINC00164442

Molecular Formula: C7H6F3NMolecular Weight: 161.124450 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ODGIMMLDVSWADK-UHFFFAOYSA-N

• 2'-Chlorophenacyl bromide
IUPAC Name: 2-bromo-1-(2-chlorophenyl)ethanone | CAS Registry Number: 5000-66-8
Synonyms: 2-Bromo-2'-chloroacetophenone, 594482_ALDRICH, ZINC00166628, CID2735785, ST5214113

Molecular Formula: C8H6BrClOMolecular Weight: 233.489640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WZWWEVCLPKAQTA-UHFFFAOYSA-N

• 2-Amino-5-bromonicotinic acid
IUPAC Name: 2-amino-5-bromopyridine-3-carboxylic acid | CAS Registry Number: 52833-94-0
Synonyms: 2-amino-5-bromonicotinic acid, SBB003380, ZINC00167541, AJ-333/25022118

Molecular Formula: C6H5BrN2O2Molecular Weight: 217.020100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: IEPDTLRHISNBLB-UHFFFAOYSA-N

• 4-Amino-6-chloropyrimidine
IUPAC Name: 6-chloropyrimidin-4-amine | CAS Registry Number: 5305-59-9
Synonyms: Streptomycin B, 4-Chloro-6-aminopyrimidine, 6-Chloro-pyrimidin-4-ylamine, NSC42134, ZINC01675006, BAS 05594136, ST5278163, TL8003485

Molecular Formula: C4H4ClN3Molecular Weight: 129.547660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DUKKRSPKJMHASP-UHFFFAOYSA-N

• 1-(3-Hydroxypropyl)-4-methylpiperazine
IUPAC Name: 3-(4-methylpiperazin-1-yl)propan-1-ol | CAS Registry Number: 5317-33-9
Synonyms: 4-Methyl-1-piperazinepropanol, 1-Piperazinepropanol, 4-methyl-, EINECS 226-177-6, NSC351986, 3-(4-Methyl-1-piperazine)propan-1-ol, 1-(3-Hydroxypropyl)-4-methyl-piperazine, SL-01902

Molecular Formula: C8H18N2OMolecular Weight: 158.241320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JKRSQNBRNIYETC-UHFFFAOYSA-N

• 3-(tert-Butyl)aniline
IUPAC Name: 3-tert-butylaniline | CAS Registry Number: 5369-19-7
Synonyms: 3-tert-Butylaniline, Aniline, m-tert-butyl-,, CID79334, EINECS 226-361-6, ZINC04242207, RF 01575, TL80074090

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

InChIKey: DPKTVUKEPNBABS-UHFFFAOYSA-N

• 3,4-Dinitrophenol
IUPAC Name: 3,4-dinitrophenol | CAS Registry Number: 577-71-9
Synonyms: 6,5-Dinitrophenol, 3,4-DINITROPHENOL, Phenol, 3,4-dinitro-, Ambap3677, 3,4-Dinitrofenol [Czech], 3,4-DNP, CCRIS 3105, 42195_FLUKA, CHEBI:39358, EINECS 209-415-3, BRN 1969398, LS-104568, 4-06-00-01384 (Beilstein Handbook Reference)

Molecular Formula: C6H4N2O5Molecular Weight: 184.106360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: AKLOLDQYWQAREW-UHFFFAOYSA-N

• 2,3-Diaminophenol
IUPAC Name: 2,3-diaminophenol | CAS Registry Number: 59649-56-8
Synonyms: Phenol, diamino-, zlchem 936, PubChem2129, AC1LBBSB, ACMC-209mex, 2,3-bis(azanyl)phenol, AC1Q7AKD, Phenol, 2,3-diamino-, SureCN190980, 340618_ALDRICH, CTK0J4316, ZLD0402, MolPort-003-930-565, ANW-33319, AR-1D2346, SBB069814, ZINC00389621, AKOS006223441, RP19581, AK-86237

Molecular Formula: C6H8N2OMolecular Weight: 124.140520 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: PCAXITAPTVOLGL-UHFFFAOYSA-N

• 6-Chloroquinoline
IUPAC Name: 6-chloroquinoline | CAS Registry Number: 612-57-7
Synonyms: Quinoline, 6-chloro-, CCRIS 3981, NSC4682, 375098_ALDRICH, NSC 4682, EINECS 210-314-1, CID69163, ZINC00066127, LS-188173, ST5405278, InChI=1/C9H6ClN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6

Molecular Formula: C9H6ClNMolecular Weight: 163.603640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GKJSZXGYFJBYRQ-UHFFFAOYSA-N

• 3,5-Dibromopyridine
IUPAC Name: 3,5-dibromopyridine | CAS Registry Number: 625-92-3
Synonyms: Pyridine, 3,5-dibromo-, NSC6209, 120162_ALDRICH, 34335_FLUKA, CHEBI:51593, ALBB-010182, CID69369, NSC 6209, EINECS 210-916-4, SBB003237, ZINC00032311, D2466G5, TL8004198, AC-907/30002039, InChI=1/C5H3Br2N/c6-4-1-5(7)3-8-2-4/h1-3

Molecular Formula: C5H3Br2NMolecular Weight: 236.892020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SOSPMXMEOFGPIM-UHFFFAOYSA-N

• 6-Aza-2-thiouracil
IUPAC Name: 3-sulfanylidene-2H-1,2,4-triazin-5-one | CAS Registry Number: 626-08-4
Synonyms: AIDS081848, AIDS-081848, EINECS 210-929-5, 3-thioxo-2H-1,2,4-triazin-5-one, CID1275976, as-Triazine-3,5(2H,4H)-dione, 3-thio-, 3,4-Dihydro-3-thioxo-1,2,4-triazin-5(2H)-one, 1,2,4-Triazin-5(2H)-one, 3,4-dihydro-3-thioxo-

Molecular Formula: C3H3N3OSMolecular Weight: 129.140420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HZPZCLDCTLLJTF-UHFFFAOYSA-N

• 1,3-Bis(bromomethyl)-5-methylbenzene
IUPAC Name: 1,3-bis(bromomethyl)-5-methylbenzene | CAS Registry Number: 19294-04-3
Synonyms: 3,5-Bis(bromomethyl)toluene, NSC243652, CID316162, ST5409004, TL8001581

Molecular Formula: C9H10Br2Molecular Weight: 277.983700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: AKDWRXXKHRUFMS-UHFFFAOYSA-N

• 5-Bromooxindole
IUPAC Name: 5-bromo-1,3-dihydroindol-2-one | CAS Registry Number: 20870-78-4
Synonyms: 5-Bromoindalin-2-on, 5-Bromo-2-oxindole, 586552_ALDRICH, CID611193, SBB005897, ZINC02565584, B2079G1, 5-Bromo-1,3-dihydro-2H-indol-2-one, TL8006280, B-8958

Molecular Formula: C8H6BrNOMolecular Weight: 212.043340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VIMNAEVMZXIKFL-UHFFFAOYSA-N

• 6-Bromohexanoyl chloride
IUPAC Name: 6-bromohexanoyl chloride | CAS Registry Number: 22809-37-6
Synonyms: 6-Bromocaproyl chloride, Hexanoyl chloride, 6-bromo-, 6-Bromohexanoic acid chloride, 235555_ALDRICH, ZINC02242612, CID89848, EINECS 245-236-7

Molecular Formula: C6H10BrClOMolecular Weight: 213.500000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HBPVGJGBRWIVSX-UHFFFAOYSA-N

• 3-Nitrobenzylamine hydrochloride
IUPAC Name: (3-nitrophenyl)methanamine | CAS Registry Number: 26177-43-5
Synonyms: Benzylamine der, 3-Nitrobenzylamine, meta-Nitrobenzylamine, (3-Nitrophenyl)methanamine, Benzenemethanamine, 3-nitro-, 3-Nitrobenzylammonium hydrochloride, AIDS011102, AIDS-011102, EINECS 247-502-8, SBB005862, BBV-084352, 26177-43-5 (HYDROCHLORIDE), 7409-18-9

Molecular Formula: C7H8N2O2Molecular Weight: 152.150620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CIUYJYRQKYGNQP-UHFFFAOYSA-N

• 6-Fluoro-2-tetralone
IUPAC Name: 6-fluoro-3,4-dihydro-1H-naphthalen-2-one | CAS Registry Number: 294919-14-5
Synonyms: 29419-14-5, 6-fluoro-3,4-dihydro-1H-naphthalen-2-one, 6-Fluoro-3,4-dihydronaphthalen-2(1H)-one, FLUOROTETRALONE, zlchem 689, AC1NNIAX, PubChem17949, SureCN588036, CTK4G3267, ZLD0141, MolPort-000-003-718, AM891, ACT05967, ANW-53139, WTI-10915, ZINC04202309, AKOS006343003, AB12639, AG-E-95779, AK-93398

Molecular Formula: C10H9FOMolecular Weight: 164.176263 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QMXOEISLPMFMBQ-UHFFFAOYSA-N

• 1-(4-Bromophenyl)-2-hydroxyethan-1-one
IUPAC Name: 1-(4-bromophenyl)-2-hydroxyethanone | CAS Registry Number: 3343-45-1
Synonyms: 1-(4-bromophenyl)-2-hydroxyethanone, 1-(4-bromophenyl)-2-hydroxyethan-1-one, CHEMBL1801618, SBB068790, 1-(4-Bromophenyl)-2-hydroxyethane-1-one, ZINC00167257, zlchem 616, AC1LAUIQ, bromophenylhydroxyethanone, SureCN55916, p-Bromo-a-hydroxy acetophenone, CTK4H0583, ZLD0066, MolPort-000-146-992, ACT05833, ANW-55081, AKOS005070623, 1-(4-bromophenyl)-2-hydroxy-ethanone, AG-F-12755, MCULE-5747207409

Molecular Formula: C8H7BrO2Molecular Weight: 215.043980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FGROGLJVXNYNQC-UHFFFAOYSA-N


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