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Profile: Trans World Chemicals, Inc. specializes in the manufacturing of chemical intermediates. Our products include isothiocyanates, thioureas, amines, benzyl halides, carboxylic acids, nitriles and heterocycles.

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• 4'-Aminobutyrophenone
IUPAC Name: 1-(4-aminophenyl)butan-1-one | CAS Registry Number: 1688-71-7
Synonyms: p-Aminobutyrophenone, BUTYROPHENONE, 4'-AMINO-, 1-Butanone, 1-(4-aminophenyl)-, 1-(4-Aminophenyl)-1-butanone, BUTYROPHENONE, p-AMINO-, AIDS019992, AIDS-019992, BRN 2084800, ZINC00389319, LS-48277, ST5412099, 4-14-00-00166 (Beilstein Handbook Reference), 7643-94-9

Molecular Formula: C10H13NOMolecular Weight: 163.216320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CYCSOZSEBPZGPC-UHFFFAOYSA-N

• 4-Fluoro-3-iodotoluene
IUPAC Name: 1-fluoro-2-iodo-4-methylbenzene | CAS Registry Number: 452-82-4
Synonyms: 646334_ALDRICH, NSC29032, CID232023, TL8003149

Molecular Formula: C7H6FIMolecular Weight: 236.025413 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XJWZEEGCMBQBNG-UHFFFAOYSA-N

• 1,3-Di(4-piperidyl)propane 4,4-Trimethyiene piperidinopiperidine
IUPAC Name: 4-(3-piperidin-4-ylpropyl)piperidine | CAS Registry Number: 16898-52-5
Synonyms: DI-PIP, Piperid Pr-bis deriv., 4,4'-Trimethylenedipiperidine, 1,3-Di-4-piperidylpropane, Maybridge4_003634, 1,3-Bis(4-piperidyl)propane, Oprea1_445285, Piperidine, 4,4'-trimethylenedi-, 1,3-Di(4-Piperidyl)propane, 121207_ALDRICH, Piperidine, 4,4'-(1,3-propanediyl)bis-, AIDS006073, 4,4'-(1,3-Propanediyl)bispiperidine, AIDS-006073, NSC96364, EINECS 240-941-6, NSC 96364, 1,3-BIS-4-PIPERIDYL PROPANE, 4,4'-(1,3-Propanediyl)bis(piperidine), Piperidine, 4,4'-trimethylenedi- (8CI)

Molecular Formula: C13H26N2Molecular Weight: 210.358940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: OXEZLYIDQPBCBB-UHFFFAOYSA-N

• 3,4-Dichlorobenzenesulphonyl chloride
IUPAC Name: 3,4-dichlorobenzenesulfonyl chloride | CAS Registry Number: 98-31-7
Synonyms: 3,4-DICHLOROBENZENESULFONYL CHLORIDE, 457132_ALDRICH, Benzenesulfonyl chloride, 3,4-dichloro-, 3,4-Dichlorophenylsulfonyl chloride, NSC2651, ALBB-001007, NSC 2651, EINECS 202-656-5, AI3-19279, T0515-0693

Molecular Formula: C6H3Cl3O2SMolecular Weight: 245.510820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NYIBPWGZGSXURD-UHFFFAOYSA-N

• 4-Benzyloxyphenyl isothiocyanate
IUPAC Name: 1-isothiocyanato-4-phenylmethoxybenzene | CAS Registry Number: 139768-71-1
Synonyms: 1-isothiocyanato-4-phenylmethoxybenzene, ST50825893, 4-(phenylmethoxy)benzenisothiocyanate, 1-(benzyloxy)-4-isothiocyanatobenzene, ZINC00164792, ACMC-20amoj, 4-benzyloxyisothiocyanate, AC1MC3GJ, CTK4C1945, MolPort-000-146-123, 4-(benzyloxy)phenyl isothiocyanate, SBB099450, AKOS005198744, AG-D-80080, MCULE-5271509196, 1-isothiocyanato-4-phenylmethoxy-benzene, KB-72093, Benzene,1-isothiocyanato-4-(phenylmethoxy)-, FT-0617670, A807586

Molecular Formula: C14H11NOSMolecular Weight: 241.308240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OQXRBXAFSXVCCO-UHFFFAOYSA-N

• 1-Benzoyl-3-phenyl-2-thiourea
IUPAC Name: N-(phenylcarbamothioyl)benzamide | CAS Registry Number: 4921-82-8
Synonyms: Phenyl benzoyl thiourea, WLN: SUYMR&MVR, CBMicro_019876, USAF K-1473, Benzamide, N-phenylthiocarbamoyl-, N-Benzoyl-N'-phenylthiourea, NSC 5817, NSC5817, UREA, 1-BENZOYL-3-PHENYL-2-THIO-, AI3-24581, Benzamide, N-[(phenylamino)thioxomethyl]-, Benzamide, N-((phenylamino)thioxomethyl)-, BIM-0020150.P001, LS-158926, ST5035646, Benzamide, N-((phenylamino)thioxomethyl)- (9CI), SR-01000635902-1

Molecular Formula: C14H12N2OSMolecular Weight: 256.322880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: GVHZQIIMGRLFMX-UHFFFAOYSA-N

• 4-Chlorostyrene
IUPAC Name: 1-chloro-4-ethenylbenzene | CAS Registry Number: 1073-67-2
Synonyms: Parachlorostyrene, Styrene, p-chloro-, P-CHLOROSTYRENE, Styrene, 4-chloro-, Benzene, 1-chloro-4-ethenyl-, Poly(4-chlorostyrene), Ambap1426, 1-Chloro-4-vinylbenzene, C71203_ALDRICH, Styrene, p-chloro- (8CI), HSDB 3451, 434124_ALDRICH, EINECS 214-028-8, NSC 18603, NSC18603, LS-29481, InChI=1/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H

Molecular Formula: C8H7ClMolecular Weight: 138.594180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: KTZVZZJJVJQZHV-UHFFFAOYSA-N

• 4-Fluorophenylurea
IUPAC Name: 1-(4-fluorophenyl)pyrrole | CAS Registry Number: 81329-31-9
Synonyms: Maybridge1_002955, DivK1c_001707, 1-(4-fluorophenyl)-1H-pyrrole, CDS1_000667, CID727844, STK196895, ZINC00137635, A3424/0145260

Molecular Formula: C10H8FNMolecular Weight: 161.175623 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YMAPGGZDHAHLGN-UHFFFAOYSA-N

• 2-chloro-5-methylbenzoic acid
IUPAC Name: 2-chloro-5-methylbenzoic acid | CAS Registry Number: 6342-60-5
Synonyms: 2-Chloro-5-methylbenozic acid, NSC46623, Benzoic acid, 2-chloro-5-methyl-, CID240430, 2-CHLORO-5-METHYLBENZOIC ACID, ST5407519

Molecular Formula: C8H7ClO2Molecular Weight: 170.592980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LEBWXJZAWTVKFL-UHFFFAOYSA-N

• 3-Fluorobenzhydrazide
IUPAC Name: 3-fluorobenzohydrazide | CAS Registry Number: 499-55-8
Synonyms: 3-Fluorobenzohydrazide, 3-Fluorobenzoic hydrazide, 536326_ALDRICH, NSC522533, CID351640, STK020472, ZINC00403973

Molecular Formula: C7H7FN2OMolecular Weight: 154.141683 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: UUISEXNUHLZEDB-UHFFFAOYSA-N

• 1-Bromo-2,5-dimethoxybenzene
IUPAC Name: 2-bromo-1,4-dimethoxybenzene | CAS Registry Number: 25245-34-5
Synonyms: Benzene, 2-bromo-1,4-dimethoxy-, 2-Bromo-1,4-dimethoxybenzene, 252743_ALDRICH, NSC159052, CID91353, EINECS 246-756-7, ZINC00056597, ST5306858

Molecular Formula: C8H9BrO2Molecular Weight: 217.059860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DWCGNRKFLRLWCJ-UHFFFAOYSA-N

• 4-Chloro-2-(trifluoromethyl)phenyl isothiocyanate
IUPAC Name: 4-chloro-1-isothiocyanato-2-(trifluoromethyl)benzene | CAS Registry Number: 99195-86-5
Synonyms: ZINC02562414, ALBB-003095, CID2736689, 4-chloro-1-isothiocyanato-2-(trifluoromethyl)benzene

Molecular Formula: C8H3ClF3NSMolecular Weight: 237.629330 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OOJRRHXHHCEPTA-UHFFFAOYSA-N

• 6-Chloro-2-Methylquinoline
IUPAC Name: 6-chloro-2-methylquinoline | CAS Registry Number: 92-46-6
Synonyms: 6-Chloroquinaldine, 6-Chloro-2-methylquinoline, Quinoline, 6-chloro-2-methyl-, 649260_ALDRICH, ZINC00085663, ST5407905

Molecular Formula: C10H8ClNMolecular Weight: 177.630220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OCCIBGIEIBQGAJ-UHFFFAOYSA-N

• 4-Fluoro-2-methylphenyl isothiocyanate
IUPAC Name: 4-fluoro-1-isothiocyanato-2-methylbenzene | CAS Registry Number: 52317-97-2
Synonyms: 4-fluoro-1-isothiocyanato-2-methylbenzene, ZINC00162092, ACMC-1AW2W, AC1MC792, CTK4J5747, PC3823V, MolPort-000-155-720, 4-fluoro-2-methylbenzenisothiocyanate, ANW-22749, SBB088092, AKOS000212042, AG-F-78212, KB-38690, FT-0618459, 4-fluoranyl-1-isothiocyanato-2-methyl-benzene, C-5463, A829026, I09-2804

Molecular Formula: C8H6FNSMolecular Weight: 167.203343 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WFIPMZZOAIIOOG-UHFFFAOYSA-N

• 2-(4-Aminophenyl)ethylamine
IUPAC Name: 4-(2-aminoethyl)aniline | CAS Registry Number: 13472-00-9
Synonyms: p-Aminophenethylamine, 4-(2-Aminoethyl)aniline, 4-Aminophenethylamine, Ambap1731, 4-Amino-.beta.-phenylethylamine, 123056_ALDRICH, 09192_FLUKA, AIDS019120, AIDS-019120, CID72895, EINECS 236-739-2, NSC299558, NSC 299558, TL8000813, InChI=1/C8H12N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6,9-10H

Molecular Formula: C8H12N2Molecular Weight: 136.194280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LNPMZQXEPNWCMG-UHFFFAOYSA-N

• 4-(2-Furfuryl)-3-Thiosemicarbazide
IUPAC Name: 1-amino-3-(furan-2-ylmethyl)thiourea | CAS Registry Number: 96860-19-4
Synonyms: Maybridge1_008734, MLS001012207, STOCK2S-60426, 4-(2-Furfuryl)-3-thiosemicarbazide, CID722972, STK338156, ZINC00127505, ZINC13685440, FS000857, SMR000425252, N-(furan-2-ylmethyl)hydrazinecarbothioamide

Molecular Formula: C6H9N3OSMolecular Weight: 171.220160 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: SUKUNUQYDORCFO-UHFFFAOYSA-N

• 4-Bromo-2-methylbenzoic acid
IUPAC Name: 4-bromo-2-methylbenzoic acid | CAS Registry Number: 68837-59-2
Synonyms: 665126_ALDRICH, Benzoic acid, 4-bromo-2-methyl-, EINECS 272-437-7, NSC243710, 4-BROMO-2-METHYL-BENZOIC ACID, ST5408748, TL8004827

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

InChIKey: RVCJOGNLYVNRDN-UHFFFAOYSA-N

• 4-Chlorobenzhydrazide
IUPAC Name: 4-chlorobenzohydrazide | CAS Registry Number: 536-40-3
Synonyms: 4-Chlorobenzohydrazide, p-Chlorobenzohydrazide, p-Chlorobenzoylhydrazine, 4-Chlorobenzoylhydrazine, 4ClPhCON2, p-Chlorobenzoic hydrazide, p-Chlorobenzoyl hydrazide, 4-Chlorobenzoyl hydrazide, P-CHLOROBENZHYDRAZIDE, 4-Chlorobenzoic acid, hydrazide, 4-Chlorobenzoic acid hydrazide, p-Chlorobenzoic acid, hydrazide, MLS000402191, 259616_ALDRICH, 23494_FLUKA, Benzoic acid, 4-chloro-, hydrazide, AIDS009030, AIDS-009030, Benzoic acid, p-chloro-, hydrazide, NSC54990

Molecular Formula: C7H7ClN2OMolecular Weight: 170.596280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PKBGHORNUFQAAW-UHFFFAOYSA-N

• 2,5-Dimethoxyphenylacetic acid
IUPAC Name: 2-(2,5-dimethoxyphenyl)acetic acid | CAS Registry Number: 1758-25-4
Synonyms: Benzeneacetic acid, 2,5-dimethoxy-, NCIOpen2_000689, MLS000037734, D135801_ALDRICH, (2,5-Dimethoxyphenyl)acetic acid, (2,5-Dimethoxyphenyl)-acetic acid, Acetic acid, (2,5-dimethoxyphenyl)-, NSC74696, EINECS 217-151-5, NSC 74696, SMR000036664, AI3-52356, ST5036755, AC-907/25014280, InChI=1/C10H12O4/c1-13-8-3-4-9(14-2)7(5-8)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12

Molecular Formula: C10H12O4Molecular Weight: 196.199880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BBZDYQUXRFATHZ-UHFFFAOYSA-N

• 3,5-dimethyloxyphenethylamine
IUPAC Name: 2-(3,5-dimethoxyphenyl)ethanamine | CAS Registry Number: 3213-28-3
Synonyms: 3,5-Dimethoxyphenethylamine, Ambap3518, 560545_ALDRICH, Benzeneethanamine, 3,5-dimethoxy-

Molecular Formula: C10H15NO2Molecular Weight: 181.231600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZHSFEDDRTVLPHH-UHFFFAOYSA-N

• 3-(2-Bromophenyl)propionic acid
IUPAC Name: 3-(2-bromophenyl)propanoic acid | CAS Registry Number: 15115-58-9
Synonyms: 643912_ALDRICH, NSC243189, CID316010

Molecular Formula: C9H9BrO2Molecular Weight: 229.070560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AOACQJFIGWNQBC-UHFFFAOYSA-N

• 3-(Hexylamino)propionitrile
IUPAC Name: 3-(hexylamino)propanenitrile | CAS Registry Number: 55490-85-2
Synonyms: 3-(Hexylamino)propanenitrile, AC1LBGXE, AC1Q4SE4, Propanenitrile,3-(hexylamino)-, CTK5A3707, Propanenitrile, 3-(hexylamino)-, MolPort-000-156-287, AR-1E7751, SBB017655, AKOS008963016, AG-A-53839, KB-86069, FT-0640314, A830672, I05-1242

Molecular Formula: C9H18N2Molecular Weight: 154.252620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IBFRLHYBIOCBTE-UHFFFAOYSA-N

• 2-Fluoro Benzyl Cyanide
IUPAC Name: 2-(2-fluorophenyl)acetonitrile | CAS Registry Number: 326-62-5
Synonyms: 2-Fluorobenzyl cyanide, o-Fluorophenylacetonitrile, o-Fluorobenzyl cyanide, 2-Fluorophenylacetonitrile, Benzeneacetonitrile, 2-fluoro-, NCIOpen2_001403, Acetonitrile, (o-fluorophenyl)-, 199346_ALDRICH, NSC88280, EINECS 206-313-0, NSC 88280, ZINC00406998, InChI=1/C8H6FN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H

Molecular Formula: C8H6FNMolecular Weight: 135.138343 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DAVJMKMVLKOQQC-UHFFFAOYSA-N

• 3,4-dimethylbenzylamine
IUPAC Name: (3,4-dimethylphenyl)methanamine | CAS Registry Number: 102-48-7
Synonyms: 3,4-Dimethylbenzylamine, Benzylamine, 3,4-dimethyl-, Benzenemethanamine, 3,4-dimethyl-, 1-(3,4-dimethylphenyl)methanamine, ALBB-005349, CID66888, EINECS 203-034-6, BBV-058460

Molecular Formula: C9H13NMolecular Weight: 135.206220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: PXNRCZQMDSDSHJ-UHFFFAOYSA-N

• 2-(3-Methoxyphenyl)acetonitrile
IUPAC Name: 3-chloro-2-methylphenol | CAS Registry Number: 3260-87-5
Synonyms: 3-Chloro-o-cresol, 3-Chloro-2-methylphenol, o-Cresol, 3-chloro-, 2-Chloro-6-hydroxytoluene, NCIOpen2_000657, Phenol, 3-chloro-2-methyl-, o-Cresol, 3-chloro- (8CI), NSC74916, CID14856, EINECS 221-861-0, NSC 74916, ZINC01673209, Phenol, 3-chloro-2-methyl- (9CI), BBV-5105735

Molecular Formula: C7H7ClOMolecular Weight: 142.582880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WADQOGCINABPRT-UHFFFAOYSA-N

• 3-Oxo-3-(2,3,4-trimethoxyphenyl)propionic acid ethyl ester
IUPAC Name: ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate | CAS Registry Number: 3044-56-2
Synonyms: Oprea1_120517, MLS000045563, 513059_ALDRICH, NSC408031, CID76443, EINECS 221-251-4, ZINC00129744, Ethyl 3,4,5-trimethoxybenzoylacetate, SMR000027520, A2559/0109002, Ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate, Ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propionate, Benzenepropanoic acid, 3,4,5-trimethoxy-.beta.-oxo-, ethyl ester, 3-Oxo-3-(3,4,5-trimethoxy-phenyl)-propionic acid ethyl ester

Molecular Formula: C14H18O6Molecular Weight: 282.289120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: VEYNISLTHXQSGU-UHFFFAOYSA-N

• 1-Acetylpiperidine-4-carboxylic acid
IUPAC Name: 1-acetylpiperidine-4-carboxylic acid | CAS Registry Number: 25503-90-6
Synonyms: N-Acetylisonipecotic acid, Maybridge1_003128, 1-Acetyl-4-piperidinecarboxylic acid, 647756_ALDRICH, EINECS 247-049-6, SBB000171, TL8002071, SR-01000637821-1

Molecular Formula: C8H13NO3Molecular Weight: 171.193720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: WFCLWJHOKCQYOQ-UHFFFAOYSA-N

• 4-Bromo-2-chloroiodobenzene
IUPAC Name: 4-bromo-2-chloro-1-iodobenzene | CAS Registry Number: 31928-47-9
Synonyms: 4-Bromo-2-chloro-1-iodobenzene, 1-bromo-3-chloro-4-iodobenzene, PubChem3592, ACMC-1CP6Y, SureCN333036, AC1MC3K7, KSC493M0P, CTK3J3607, BUTTPARK 34\07-78, MolPort-000-151-829, ACT01064, ANW-27228, ZINC00160565, AKOS000279308, AG-F-06549, AS03153, AK-54909, BR-54909, KB-36937, B3030

Molecular Formula: C6H3BrClIMolecular Weight: 317.349490 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: OHHKQBZOURGNLR-UHFFFAOYSA-N

• 2,6-Dimethyl-Hydroquinone
IUPAC Name: 2,6-dimethylbenzene-1,4-diol | CAS Registry Number: 654-42-2
Synonyms: m-Xylohydroquinone, m-Xhq, m-Xylene-2,5-diol, Metaxylohydroquinone, 2,6-Xyloquinol, 2,6-Xylohydroquinone, 2,6-Dimethylhydroquinone, DMHQ, MXHQ, 3,5-Dimethylhydroquinone, 1,4-Benzenediol, 2,6-dimethyl-, Ambap7651, Hydroquinone, 2,6-dimethyl-, 2,6-Dimethyl-1,4-benzenediol, 2,6-Dimethyl-p-benzohydroquinone, 181781_ALDRICH, 181803_ALDRICH, 2,6-dimethylbenzene-1,4-diol, EINECS 211-505-2, NSC 36868

Molecular Formula: C8H10O2Molecular Weight: 138.163800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: SGWZVZZVXOJRAQ-UHFFFAOYSA-N

• 4-Bromo-2,6-dimethylphenylisothiocyanate
IUPAC Name: 5-bromo-2-isothiocyanato-1,3-dimethylbenzene | CAS Registry Number: 32265-82-0
Synonyms: 4-Bromo-2,6-dimethylphenyl isothiocyanate, 5-Bromo-2-isothiocyanato-1,3-dimethylbenzene, ZINC02390095, AC1LAX6Y, ACMC-1CJM1, CTK4G8436, MolPort-000-151-969, OR4764, AKOS009156644, 4-bromo-2,6-dimethylisothiocyanatobenzene, KB-84727, KB-189653, FT-0617745, Benzene,5-bromo-2-isothiocyanato-1,3-dimethyl-

Molecular Formula: C9H8BrNSMolecular Weight: 242.135520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CAANWLMQHPUROR-UHFFFAOYSA-N

• 2-Chlorostyrene
IUPAC Name: 1-chloro-2-ethenylbenzene | CAS Registry Number: 2039-87-4
Synonyms: O-CHLOROSTYRENE, Chlorostyrene, Styrene, o-chloro-, ortho-Chlorostyrene, Stryene, o-chloro-, Styrene, 2-chloro-, Ambap1421, 1-Chloro-2-vinylbenzene, Benzene, 1-chloro-2-ethenyl-, CCRIS 4598, HSDB 3450, 160679_ALDRICH, EINECS 218-026-8, NSC 18601, NSC18601, BRN 2038863, LS-988, Benzene, 1-chloro-2-ethenyl- (9CI), NCGC00091054-01, 4-05-00-01345 (Beilstein Handbook Reference)

Molecular Formula: C8H7ClMolecular Weight: 138.594180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ISRGONDNXBCDBM-UHFFFAOYSA-N

• 4-(2-Fluorophenyl)-3-thiosemicarbazide
IUPAC Name: 1-amino-3-(2-fluorophenyl)thiourea | CAS Registry Number: 38985-72-7
Synonyms: NSC129261, CID737276, ZINC00166666, T0512-9596

Molecular Formula: C7H8FN3SMolecular Weight: 185.221923 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: TWFLAERJMLKDNL-UHFFFAOYSA-N

• 3,5-Bis(trifluoromethyl)benzamide
IUPAC Name: 3,5-bis(trifluoromethyl)benzamide | CAS Registry Number: 22227-26-5
Synonyms: 3,5-di(Trifluoromethyl)benzamide, 559997_ALDRICH, ZINC00152628, JRD-0399, EINECS 244-849-7, CID519927, 3S211027

Molecular Formula: C9H5F6NOMolecular Weight: 257.132519 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: YNOPIKHMZIOWHS-UHFFFAOYSA-N

• 3-Aminobenzylamine
IUPAC Name: 3-(aminomethyl)aniline | CAS Registry Number: 4403-70-7
Synonyms: 3-(aminomethyl)aniline, PubChem5802, AC1NDNWO, alpha-Amino-m-toluidine, SureCN79460, 3-(aminomethyl)phenylamine, (3-Aminophenyl)methylamine, ACMC-209jw7, AC1Q53VN, KSC492M7J, [3-(aminomethyl)-phenyl]-amine, CTK3J2674, MolPort-003-855-212, BB_SC-8894, ANW-30053, BBL011549, SBB017629, STL146682, AKOS005721114, MCULE-8354950998

Molecular Formula: C7H10N2Molecular Weight: 122.167700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZDBWYUOUYNQZBM-UHFFFAOYSA-N

• 4-Bromo-2-methylphenyl isothiocyanate
IUPAC Name: 4-bromo-1-isothiocyanato-2-methylbenzene | CAS Registry Number: 19241-38-4
Synonyms: ZINC02168493, 4-Bromo-1-isothiocyanato-o-toluene, CID87977, EINECS 242-907-6, 4-Bromo-1-isothiocyanato-2-methylbenzene, Benzene, 4-bromo-1-isothiocyanato-2-methyl-

Molecular Formula: C8H6BrNSMolecular Weight: 228.108940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YASXCQRGYJGIKD-UHFFFAOYSA-N

• 2-Butyl isothiocyanate
IUPAC Name: (2R)-2-isothiocyanatobutane | CAS Registry Number: 4426-79-3
Synonyms: sec-Butyl isothiocyanate, ZINC00167189, CID5399110

Molecular Formula: C5H9NSMolecular Weight: 115.196660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: TUFJIDJGIQOYFY-RXMQYKEDSA-N

• 3-Chlorobenzhydrazide
IUPAC Name: 3-chlorobenzohydrazide | CAS Registry Number: 1673-47-8
Synonyms: 3-Chlorobenzohydrazide, 3-Chlorobenzoic acid, hydrazide, BENZOYLHYDRAZINE, M-CHLORO, AIDS009029, AIDS-009029, Benzoic acid, 3-chloro-, hydrazide, EINECS 216-812-5, ZINC00080753, ST5186398, AN-068/40169986

Molecular Formula: C7H7ClN2OMolecular Weight: 170.596280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PHRDZSRVSVNQRN-UHFFFAOYSA-N

• 2-Bromo-4,5-dimethoxyphenylacetonitrile
IUPAC Name: 2-(2-bromo-4,5-dimethoxyphenyl)acetonitrile | CAS Registry Number: 51655-39-1
Synonyms: Ambap512, ZINC02565986, CID142869

Molecular Formula: C10H10BrNO2Molecular Weight: 256.095900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OYPMCZMEPRFUFJ-UHFFFAOYSA-N

• 3,4-Dimethoxycinnamic acid
IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid | CAS Registry Number: 2316-26-9
Synonyms: Dimethyl caffeic acid, Dimethylcaffeic acid, Caffeic acid dimethyl ether, Spectrum5_000142, 3,4-DIMETHOXYCINNAMIC ACID, 3, 4-Dimethoxycinnamic acid, BSPBio_001672, SPECTRUM210567, MLS000570053, D133809_ALDRICH, SPECTRUM1505130, NSC4323, ARONIS023564, Cinnamic acid, 3,4-dimethoxy-, AIDS021439, AIDS-021439, ALBB-004705, NSC43569, (E)-3',4'-Dimethoxycinnamic acid, EINECS 238-801-4

Molecular Formula: C11H12O4Molecular Weight: 208.210580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HJBWJAPEBGSQPR-GQCTYLIASA-N

• 2-Chloro-3-Methylbenzoic acid
IUPAC Name: 2-chloro-3-methylbenzoic acid | CAS Registry Number: 15068-35-6
Synonyms: 2-Chloro-3-methylbenzoic acid, Ambap2217, CID139879, TL8001098

Molecular Formula: C8H7ClO2Molecular Weight: 170.592980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LWOKLXMNGXXORN-UHFFFAOYSA-N

• 3,4-Diethoxyphenylacetonitrile
IUPAC Name: 2-(3,4-diethoxyphenyl)acetonitrile | CAS Registry Number: 27472-21-5
Synonyms: Enamine_005113, (3,4-Diethoxyphenyl)acetonitrile, Oprea1_371438, Benzeneacetonitrile, 3,4-diethoxy-, ZERO/001032, EINECS 248-479-7, CID520318, ZINC00052616, IDI1_007700, EU-0052082

Molecular Formula: C12H15NO2Molecular Weight: 205.253000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OBDKFHFLERWBBI-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

• 2-Chloro-5-Nitro Benzoyl Chloride
IUPAC Name: 2-chloro-5-nitrobenzoyl chloride | CAS Registry Number: 25784-91-2
Synonyms: 2-Chloro-5-nitrobenzoyl chloride, Benzoyl chloride, 2-chloro-5-nitro-, ZINC02522758, EINECS 247-262-4, CID117637, InChI=1/C7H3Cl2NO3/c8-6-2-1-4(10(12)13)3-5(6)7(9)11/h1-3

Molecular Formula: C7H3Cl2NO3Molecular Weight: 220.009620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OGLKKYALUKXVPQ-UHFFFAOYSA-N

• 3-Chlorobenzamide
IUPAC Name: 3-chlorobenzamide | CAS Registry Number: 618-48-4
Synonyms: m-Chlorobenzamide, Benzamide, 3-chloro-, Benzamide, m-chloro-, Benzamide, m-chloro- (8CI), EINECS 210-554-7, BRN 1859940, BTB 07622, ZINC00153113, LS-26021, TL8003961, C11731, 4-09-00-00972 (Beilstein Handbook Reference), InChI=1/C7H6ClNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10

Molecular Formula: C7H6ClNOMolecular Weight: 155.581640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MJTGQALMWUUPQM-UHFFFAOYSA-N

• 2-Bromo-4-methylphenyl isothiocyanate
IUPAC Name: 2-bromo-1-isothiocyanato-4-methylbenzene | CAS Registry Number: 19241-39-5
Synonyms: ZINC02390065, CID140506, 2-Bromo-1-isothiocyanato-4-methylbenzene

Molecular Formula: C8H6BrNSMolecular Weight: 228.108940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DQXSCOWMTPPFCJ-UHFFFAOYSA-N

• 1-(2,4-Dimethylphenyl)-2-thiourea
IUPAC Name: (2,4-dimethylphenyl)thiourea | CAS Registry Number: 16738-20-8
Synonyms: 2,4-Xylylthiourea, (2,4-Xylyl) thiourea, 2,4-Dimethylphenylthiourea, 2-Thio-1-(2,4-xylyl)urea, Urea, 2-thio-1-(2,4-xylyl)-, Thiourea, (2,4-dimethylphenyl)-, BRN 2639862, ZINC00156315, Thiourea, (2,4-dimethylphenyl)- (9CI), LS-160752, ST5211333, 2-12-00-00609 (Beilstein Handbook Reference)

Molecular Formula: C9H12N2SMolecular Weight: 180.269980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: KAGLPYRXTCQWHU-UHFFFAOYSA-N

• 3-Bromo-4-chlorotoluene
IUPAC Name: 2-bromo-1-chloro-4-methylbenzene | CAS Registry Number: 57310-39-1
Synonyms: Ambap2214, NSC139876, CID284147

Molecular Formula: C7H6BrClMolecular Weight: 205.479540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: UWXPTVKKHVOZLJ-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-Ethoxy Benzhydrazide
IUPAC Name: 2-ethoxybenzohydrazide | CAS Registry Number: 21018-13-3
Synonyms: 2-Ethoxybenzhydrazide, o-Ethoxy benzhydrazide, ZINC02146934, BBV-036667

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

InChIKey: LADUENYEZHMRQH-UHFFFAOYSA-N

• 3-(3,4-Dimethoxyphenyl)propanoic acid
IUPAC Name: 3-(3,4-dimethoxyphenyl)propanoic acid | CAS Registry Number: 2107-70-2
Synonyms: 2ay3, Oprea1_529953, MLS000779082, 3-(3,4-Dimethoxyphenyl)propionic acid, 162345_ALDRICH, ARONIS003855, 3,4-Dimethoxyhydrocinnamic acid, Benzenepropanoic acid, 3,4-dimethoxy-, CID75019, NSC76043, EINECS 218-288-3, 3-(3,4-Dimethoxyphenyl)-propionic acid, DB04208, SMR000415779, ST040245, 3-(3,4-Dimethoxy-phenyl)-propionic acid, AJ-292/41028972, MPP, InChI=1/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13

Molecular Formula: C11H14O4Molecular Weight: 210.226460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LHHKQWQTBCTDQM-UHFFFAOYSA-N


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