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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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• 2-Bromo-4-Chloroanisole
IUPAC Name: 2-bromo-4-chloro-1-methoxybenzene | CAS Registry Number: 60633-25-2
Synonyms: 2-Bromo-4-chloroanisole, 2-Bromo-4-chloro-1-methoxybenzene, CID521935, ZINC02568088, ST5405639, TL8006914

Molecular Formula: C7H6BrClOMolecular Weight: 221.478940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YJEMGEBDXDPBSP-UHFFFAOYSA-N

• 4-Fluoro-1,2-xylene
IUPAC Name: 4-fluoro-1,2-dimethylbenzene | CAS Registry Number: 452-64-2
Synonyms: 4-Fluoro-o-xylene, o-Xylene, 4-fluoro-, 4-fluoro-1,2-dimethylbenzene, Benzene, 4-fluoro-1,2-dimethyl-, NSC76082, TL80074104

Molecular Formula: C8H9FMolecular Weight: 124.155463 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WYHBENDEZDFJNU-UHFFFAOYSA-N

• 3-Cyanophenyl Isothiocyanate
IUPAC Name: 3-isothiocyanatobenzonitrile | CAS Registry Number: 3125-78-8
Synonyms: 3-Cyanophenyl isothiocyanate, m-Cyanophenyl isothiocyanate, 496642_ALDRICH, Benzonitrile, 3-isothiocyanato-, CID76578, ZINC02390086, BBV-104676

Molecular Formula: C8H4N2SMolecular Weight: 160.195760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UXCYPHCFQAFVFH-UHFFFAOYSA-N

• 3,5-Dimethoxy-4-hydroxybenzhydrazide
IUPAC Name: 4-hydroxy-3,5-dimethoxybenzohydrazide | CAS Registry Number: 1443-76-1
Synonyms: NCIOpen2_004585, NSC77902, 4-Hydroxy-3,5-dimethoxybenzohydrazide, CID74043, EINECS 215-884-5, 4-Hydroxy-3,5-dimethoxybenzoic acid, ZINC00156258, 3,5-DIMETHOXY-4-HYDROXY BENZHYDRAZIDE, Benzoic acid, 4-hydroxy-3,5-dimethoxy-, hydrazide

Molecular Formula: C9H12N2O4Molecular Weight: 212.202580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: AKZAAANGIPRVDU-UHFFFAOYSA-N

• 3-Bromophenyl isothiocyanate
IUPAC Name: 1-bromo-3-isothiocyanatobenzene | CAS Registry Number: 2131-59-1
Synonyms: m-Bromophenyl isothiocyanate, 253162_ALDRICH, Benzene, 1-bromo-3-isothiocyanato-, BRN 2081173, ISOTHIOCYANIC ACID, m-BROMOPHENYL ESTER, ZINC02504432, LS-86390, 3-12-00-01427 (Beilstein Handbook Reference), S 04141

Molecular Formula: C7H4BrNSMolecular Weight: 214.082360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZMGMGHNOACSMQN-UHFFFAOYSA-N

• 2-Chloro-4,5-dimethoxybenzoic acid
IUPAC Name: 2-chloro-4,5-dimethoxybenzoic acid | CAS Registry Number: 60032-95-3
Synonyms: 2-chloro-4,5-dimethoxybenzoic acid, AC1MBVXB, PubChem12496, AC1Q46IT, SureCN2818164, CTK5B0878, MolPort-000-152-867, SBB017791, AKOS009159272, MCULE-1599267362, 2-chloranyl-4,5-dimethoxy-benzoic acid, AK135741, KB-68435, FT-0676192, A832580, I01-13957

Molecular Formula: C9H9ClO4Molecular Weight: 216.618360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: CHMWIAHMSOASPM-UHFFFAOYSA-N

• 4-Butylphenyl isothiocyanate
IUPAC Name: 1-butyl-4-isothiocyanatobenzene | CAS Registry Number: 23165-44-8
Synonyms: 1-Butyl-4-isothiocyanatobenzene, ZINC02168496, T5792196

Molecular Formula: C11H13NSMolecular Weight: 191.292620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PXVPXJHMTUKENZ-UHFFFAOYSA-N

• 4-Benzyloxyacetophenone
IUPAC Name: 1-[4-(phenylmethoxy)phenyl]ethanone | CAS Registry Number: 54696-05-8
Synonyms: 4'-(Benzyloxy) acetophenone, NSC56945, ZERO/004752, CID245226, ZINC00122583, Ethanone, 1-[4-(phenylmethoxy)phenyl]-

Molecular Formula: C15H14O2Molecular Weight: 226.270460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MKYMYZJJFMPDOA-UHFFFAOYSA-N

• 5-bromo-1-benzofuran-2-carboxylic acid
IUPAC Name: 5-bromo-1-benzofuran-2-carboxylic acid | CAS Registry Number: 10242-11-2
Synonyms: ZERO/004865, 5-Bromobenzofuran-2-carboxylic acid, CID735247, UX00005350, A4136/0176352

Molecular Formula: C9H5BrO3Molecular Weight: 241.038200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QKUWZCOVKRUXKX-UHFFFAOYSA-N

• 1-Benzoyl-3-(2-pyridyl)-2-thiourea
IUPAC Name: N-(pyridin-2-ylcarbamothioyl)benzamide | CAS Registry Number: 4921-86-2
Synonyms: Maybridge1_007196, Oprea1_750915, MLS000756392, N-Benzoyl-N'-(2-pyridinyl)thiourea, NSC176367, AIDS127706, AIDS-127706, 1-Benzoyl-3-pyridin-2-yl-thiourea, NSC 176367, BAS 00344441, SMR000528710, ST5036564, SR-01000396948-2

Molecular Formula: C13H11N3OSMolecular Weight: 257.310940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PNBLAGJAUXZQTL-UHFFFAOYSA-N

• 4-Methoxybenzoic Anhydride
IUPAC Name: (4-methoxybenzoyl) 4-methoxybenzoate | CAS Registry Number: 794-94-5
Synonyms: p-Anisic anhydride, 4-Anisic anhydride, p-Anisic acid anhydride, p-Methoxybenzoic anhydride, 4-Methoxybenzoic anhydride, 4-Methoxyphenyl anhydride, 4-Methoxybenzoic acid anhydride, 493848_ALDRICH, EINECS 212-345-6, Benzoic acid, 4-methoxy-, anhydride, NSC 101011, BTB14618, CID69928, BRN 0545712, NSC101011, STK423366, LS-20115, 4-10-00-00394 (Beilstein Handbook Reference), InChI=1/C16H14O5/c1-19-13-7-3-11(4-8-13)15(17)21-16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H

Molecular Formula: C16H14O5Molecular Weight: 286.279360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: YGMHIBLUWGDWKP-UHFFFAOYSA-N

• 4-Benzyloxybenzoic acid
IUPAC Name: 4-(phenylmethoxy)benzoic acid | CAS Registry Number: 1486-51-7
Synonyms: p-(Benzyloxy)benzoic acid, 4-(benzyloxy)benzoic acid, Benzoic acid, 4-(phenylmethoxy)-, Oprea1_723890, 512354_ALDRICH, ARONIS010263, Brl 14280, AIDS027812, AIDS-027812, ALBB-008958, NSC16633, EINECS 216-066-0, NSC 16633, ST5308765, SR-01000633233-1, InChI=1/C14H12O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16

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

InChIKey: AQSCHALQLXXKKC-UHFFFAOYSA-N

• 4-Carboxyphenyl isothiocyanate
IUPAC Name: 4-isothiocyanatobenzoic acid | CAS Registry Number: 2131-62-6
Synonyms: 4-Icba, 4-Isothiocyanatobenzoic acid, Benzoic acid, 4-isothiocyanato-, NSC52064, NSC 52064

Molecular Formula: C8H5NO2SMolecular Weight: 179.195800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RBEFRYQKJYMLCC-UHFFFAOYSA-N

• 1-Bromo-4-butylbenzene
IUPAC Name: 1-bromo-4-butylbenzene | CAS Registry Number: 41492-05-1
Synonyms: 4-Bromo-n-butylbenzene, 1-Bromo-4-n-Butylbenzene, ST50405192, 4-n-Butylbromobenzene, PubChem15109, ACMC-209jkm, AC1LAV2E, AC1Q2VDY, 1-(4-Bromophenyl)butane, SureCN687846, 1-Bromo-4-ButYl-Benzene, 4-(But-1-yl)bromobenzene, KSC106O7D, 335762_ALDRICH, 1-Bromo-4-(but-1-yl)benzene, MolPort-001-759-142, ANW-29636, ZINC02390036, AKOS005256901, LS11195

Molecular Formula: C10H13BrMolecular Weight: 213.114220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: BRGVKVZXDWGJBX-UHFFFAOYSA-N

• 2-Chloro-5-(trifluoromethyl)phenylisothiocyanate
IUPAC Name: 1-chloro-2-isothiocyanato-4-(trifluoromethyl)benzene | CAS Registry Number: 23165-49-3
Synonyms: 474886_ALDRICH, NSC172980, BB_SC-1826, CID141005, ZINC00057101, 2-Chloro-5-trifluoromethylphenyl isothiocyanate, 2-Chloro-5-(trifluoromethyl)phenyl isothiocyanate

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

InChIKey: KHTMKXDMVYHDSY-UHFFFAOYSA-N

• 4-Chlorophenylacetone
IUPAC Name: 1-(4-chlorophenyl)propan-2-one | CAS Registry Number: 5586-88-9
Synonyms: p-(Chlorophenyl)acetone, 1-(p-Chlorophenyl)acetone, 1-(4-Chlorophenyl)acetone, 2-Propanone, 1-(4-chlorophenyl)-, NSC22985, EINECS 226-986-4, NSC 22985, ZINC00159558, ST5406100

Molecular Formula: C9H9ClOMolecular Weight: 168.620160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WEJRYKSUUFKMBC-UHFFFAOYSA-N

• 3,5-Dinitro-4-hydroxyphenylacetic acid
IUPAC Name: 2-(4-hydroxy-3,5-dinitrophenyl)acetic acid | CAS Registry Number: 10463-37-3
Synonyms: 4-Hydroxy-3,5-dinitrophenacetyl, NSC151241, 3,5-Dinitro-4-hydroxyphenacetic acid, NSC 151241, 3,5-Dinitro-4-hydroxyphenyl-acetic acid, 4-Hydroxy-3,5-dinitrobenzeneacetic acid, (4-Hydroxy-3,5-dinitrophenyl)acetic acid, ST5411826, 3,5-DINITRO-4-HYDROXYPHENYL ACETIC ACID

Molecular Formula: C8H6N2O7Molecular Weight: 242.142440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: MLVYQQLUGFSXQH-UHFFFAOYSA-N

• 2,5-Dimethoxyphenethyl isothiocyanate
IUPAC Name: 2-(2-isothiocyanatoethyl)-1,4-dimethoxybenzene | CAS Registry Number: 56771-74-5
Synonyms: 2-(2-Isothiocyanatoethyl)-1,4-dimethoxybenzene, ZINC02574327, AC1LC05Z, CTK5A5688, MolPort-000-154-642, AKOS015851852, 2,5-dimethyloxyphenethyl isothiocyanate, KB-86134, FT-0640409, 2-(2-isothiocyanatoethyl)-1,4-dimethoxy-benzene, A831170, Benzene,2-(2-isothiocyanatoethyl)-1,4-dimethoxy-, Benzene, 2-(2-isothiocyanatoethyl)-1,4-dimethoxy-, I09-2725

Molecular Formula: C11H13NO2SMolecular Weight: 223.291420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: QYVVYOAJVPHNPR-UHFFFAOYSA-N

• 4-Ethoxybenzoyl Chloride
IUPAC Name: 4-ethoxybenzoyl chloride | CAS Registry Number: 16331-46-7
Synonyms: 4-Ethoxybenzoyl chloride, p-Ethoxybenzoyl chloride, 288829_ALDRICH, CID140059, ZINC02242598, BBV-186669, I01-2694

Molecular Formula: C9H9ClO2Molecular Weight: 184.619560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XLWQUESMILVIPR-UHFFFAOYSA-N

• 1-Butyl-2-thiourea
IUPAC Name: butylthiourea | CAS Registry Number: 1516-32-1
Synonyms: Butylthiourea, N-Butylthiourea, Thiourea, butyl-, n-Butyl thiourea, Butyl-2-thiourea, Urea, 1-butyl-2-thio-, USAF D-5, WLN: SUYZM4, EINECS 216-165-9, NSC 202953, BRN 1744779, NSC202953, ZINC01737392, LS-159284, ST5410288, 4-04-00-00584 (Beilstein Handbook Reference)

Molecular Formula: C5H12N2SMolecular Weight: 132.227180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: GMEGXJPUFRVCPX-UHFFFAOYSA-N

• 3-Bromo-4-methoxytoluene
IUPAC Name: 2-bromo-1-methoxy-4-methylbenzene | CAS Registry Number: 22002-45-5
Synonyms: 2-Bromo-4-methylanisole, Anisole, 2-bromo-4-methyl-, 480835_ALDRICH, ARONIS002710, 2-Bromo-1-methoxy-4-methylbenzene, Benzene, 2-bromo-1-methoxy-4-methyl-, EINECS 244-705-3, ZINC00403240, ST5319749

Molecular Formula: C8H9BrOMolecular Weight: 201.060460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DHPUIKWBNXTXOB-UHFFFAOYSA-N

• 3-Chloro-4-Iodotoluene
IUPAC Name: 2-chloro-1-iodo-4-methylbenzene | CAS Registry Number: 116632-42-9
Synonyms: 3-Chloro-4-iodotoluene, 2-chloro-1-iodo-4-methylbenzene, Benzene,2-chloro-1-iodo-4-methyl-, PubChem3656, AC1MBWA7, ACMC-20a3x1, SureCN551259, CTK4A9917, MolPort-000-153-162, 2-Chloro-1-iodo-4-methylbenzene;, ACT13372, ANW-56003, ZINC02571852, AKOS009319653, Benzene, 2-chloro-1-iodo-4-methyl-, AG-D-38155, AM61740, AS00145, AK-44991, KB-31009

Molecular Formula: C7H6ClIMolecular Weight: 252.480010 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: IFXSHBHXDHPWEO-UHFFFAOYSA-N

• 2-Bromodiphenylmethane
IUPAC Name: 1-bromo-2-(phenylmethyl)benzene | CAS Registry Number: 23450-18-2
Synonyms: Benzhydryl bromide, Diphenylbromomethane, Diphenylmethyl bromide, Bromo(diphenyl)methane, ALPHA-BROMODIPHENYLMETHANE, Methane, bromodiphenyl- (8CI), 1-Bromo-2-(phenylmethyl)benzene, Methane, bromodiphenyl- (solution), EINECS 212-279-8, Diphenylmethyl bromide, solid (DOT), NSC 39226, UN1770, Benzene, 1,1'-(bromomethylene)bis-, Benzene, 1-bromo-2-(phenylmethyl)-, Diphenylmethyl bromide solution (DOT), Diphenylmethyl bromide [UN1770] [Corrosive], 776-74-9

Molecular Formula: C13H11BrMolecular Weight: 247.130440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: DLCYFIIONMLNAJ-UHFFFAOYSA-N

• 2-Amino-N-cyclohexylbenzamide
IUPAC Name: 2-amino-N-cyclohexylbenzamide | CAS Registry Number: 56814-11-0
Synonyms: ST037474, (2-aminophenyl)-N-cyclohexylcarboxamide, ZINC00128301, AC1LB7AV, Maybridge1_003298, AC1Q5N9Q, SureCN2154833, Oprea1_673490, 2-Amino-N-cyclohexyl-benzamide, ARONIS006299, HMS550N20, MolPort-000-151-001, AC1Q5292, AR-1D8887, BBL001797, SBB018375, STK125810, AKOS000111774, MCULE-3537485715, KB-93633

Molecular Formula: C13H18N2OMolecular Weight: 218.294820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: AHWGBTCRPVCUBP-UHFFFAOYSA-N

• 3,5-Dichlorophenylthiourea
IUPAC Name: (3,5-dichlorophenyl)thiourea | CAS Registry Number: 107707-33-5
Synonyms: Maybridge1_007644, MLS000861985, N-(3,5-dichlorophenyl)thiourea, NSC523950, SEW 05277, ZINC00111148, CID2737539, SMR000461067

Molecular Formula: C7H6Cl2N2SMolecular Weight: 221.106940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: BNJARXOEVLYKDN-UHFFFAOYSA-N

• 4-Bromo-1-chloro-2-fluorobenzene
IUPAC Name: 4-bromo-1-chloro-2-fluorobenzene | CAS Registry Number: 60811-18-9
Synonyms: 1-Bromo-4-chloro-3-fluorobenzene, 3-Fluoro-4-chlorobromobenzene, 2-fluoro-4-bromochlorobenzene, 4-chloro-3-fluorobromobenzene, 5-bromo-2-chlorofluorobenzene, 3-fluoro-4-chloro-bromobenzene, 2-CHLORO-5-BROMOFLUOROBENZENE, 4-BROMO-2-FLUOROCHLOROBENZENE, ST50405488, ATTERCOP-CHM AT132907, PubChem2255, AC1MC5GQ, ACMC-209mm9, SureCN266852, AC1Q4L7E, KSC493O4L, AGYWDGVTLKNTBS-UHFFFAOYSA-, CTK3J3745, MolPort-000-151-815, 4-chloro-3-fluoro-1-bromobenzene

Molecular Formula: C6H3BrClFMolecular Weight: 209.443423 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AGYWDGVTLKNTBS-UHFFFAOYSA-N

• 4-(Acetylphenyl)phenylmethane
IUPAC Name: 1-(4-benzylphenyl)ethanone | CAS Registry Number: 782-92-3
Synonyms: 1-(4-Benzylphenyl)ethanone, (4-Acetylphenyl)phenylmethane, MLS000682801, NSC87372, AKL-PFB-019485, MolPort-000-150-864, CID258457, ZINC01562037, SMR000312158

Molecular Formula: C15H14OMolecular Weight: 210.271060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PPYJQGBEZQOXHC-UHFFFAOYSA-N

• 4-Acetamidobenzyl alcohol
IUPAC Name: N-[4-(hydroxymethyl)phenyl]acetamide | CAS Registry Number: 16375-88-5
Synonyms: p-Acetaminobenzyl alcohol, 4-Acetaminobenzyl alcohol, N-[4-(Hydroxymethyl)phenyl]acetamide, CID152141, ZINC02566078, BBV-005512, Acetamide, N-(4-(hydroxymethyl)phenyl)-, acetamide, N-[4-(hydroxymethyl)phenyl]-, InChI=1/C9H11NO2/c1-7(12)10-9-4-2-8(6-11)3-5-9/h2-5,11H,6H2,1H3,(H,10,12

Molecular Formula: C9H11NO2Molecular Weight: 165.189140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XEYORFKUJZEQCH-UHFFFAOYSA-N

• 3-Bromothiobenzamide
IUPAC Name: 3-bromobenzenecarbothioamide | CAS Registry Number: 2227-62-5
Synonyms: 3-Bromobenzenecarbothioamide, Benzenecarbothioamide, 3-bromo-, ZINC02540594, CID2757186, T5243701

Molecular Formula: C7H6BrNSMolecular Weight: 216.098240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: YCFFEUUASMKLDX-UHFFFAOYSA-N

• 5-Chloro-2-Methylbenzonitrile
IUPAC Name: 5-chloro-2-methylbenzonitrile | CAS Registry Number: 50712-70-4
Synonyms: 5-Chloro-2-methylbenzonitrile, CID142743, ZINC02507890

Molecular Formula: C8H6ClNMolecular Weight: 151.592940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HFBZPKYQUFLCEL-UHFFFAOYSA-N

• 1-(3-Fluorophenyl)imidazoline-2-Thione
IUPAC Name: 3-(3-fluorophenyl)-1H-imidazole-2-thione | CAS Registry Number: 17452-26-5
Synonyms: MolPort-000-155-855, 1-(3-Fluorophenyl)imidazoline-2-thione, ZINC02528142, ZINC03888363, CID2737474, LT03497226, 1-(3-Fluorophenyl)-1,3-dihydro-2H-imidazole-2-thione

Molecular Formula: C9H7FN2SMolecular Weight: 194.228683 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BMCFCDCBHCVAIC-UHFFFAOYSA-N

• 4-Chloro-1,2-xylene
IUPAC Name: 4-chloro-1,2-dimethylbenzene | CAS Registry Number: 615-60-1
Synonyms: 4-Chloro-o-xylene, o-Xylene, 4-chloro-, 3,4-Dimethylchlorobenzene, 1-Chloro-3,4-dimethylbenzene, 4-Chloro-1,2-dimethylbenzene, 137758_ALDRICH, Benzene, 4-chloro-1,2-dimethyl-, 09363_FLUKA, EINECS 210-438-6

Molecular Formula: C8H9ClMolecular Weight: 140.610060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: HNQLMBJUMVLFCF-UHFFFAOYSA-N

• 3,4-Dimethoxy-b-methyl-b-nitrostyrene
IUPAC Name: 1,2-dimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene | CAS Registry Number: 122-47-4
Synonyms: NSC54548, EINECS 204-547-8, CID636709, ZINC04696938, 1-(3,4-Dimethoxyphenyl)-2-nitropropene, 1,2-dimethoxy-4-(2-nitro-propenyl)-benzene, BAS 00395219, 3,4-dimethoxy-beta-methyl-beta-nitrostyrene, ST5227218, 1,2-dimethoxy-4-(2-nitro-1-propenyl)-benzene, 1,2-dimethoxy-4-[(1E)-2-nitroprop-1-en-1-yl]benzene, benzene, 1,2-dimethoxy-4-[(1E)-2-nitro-1-propenyl]-, InChI=1/C11H13NO4/c1-8(12(13)14)6-9-4-5-10(15-2)11(7-9)16-3/h4-7H,1-3H3/b8-6

Molecular Formula: C11H13NO4Molecular Weight: 223.225220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: JGFBGRHDJMANRR-SOFGYWHQSA-N

• 3-Chlorobenzoyl isothiocyanate
IUPAC Name: 3-chlorobenzoyl isothiocyanate | CAS Registry Number: 66090-36-6
Synonyms: 3-chlorobenzoyl isothiocyanate, ZINC02390100, AC1MBVRZ, Benzoylisothiocyanate, 3-chloro-, CTK2F2594, MolPort-000-152-731, AKOS009076008, (3-chlorophenyl)-isothiocyanatomethanone, (3-chlorophenyl)-isothiocyanato-methanone, KB-86647, FT-0641046, A835331, I01-14270

Molecular Formula: C8H4ClNOSMolecular Weight: 197.641460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZUISLKTWVWIULT-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

• 2-Amino-3-bromo-5-methylpyridine
IUPAC Name: 3-bromo-5-methylpyridin-1-ium-2-amine | CAS Registry Number: 17282-00-7
Synonyms: ZINC00058141, CID6921862

Molecular Formula: C6H8BrN2+Molecular Weight: 188.045120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: NDPKXEWDWTZBDG-UHFFFAOYSA-O

• 2,4-Dichloro-thiobenzamide
IUPAC Name: 2,4-dichlorobenzenecarbothioamide | CAS Registry Number: 2775-38-4
Synonyms: Maybridge1_008398, ZINC00121126, CID2734822

Molecular Formula: C7H5Cl2NSMolecular Weight: 206.092300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: WDNBLWURITYPQL-UHFFFAOYSA-N

• 2,6-Dichloroiodobenzene
IUPAC Name: 1,3-dichloro-2-iodobenzene | CAS Registry Number: 19230-28-5
Synonyms: 1,3-Dichloro-2-iodobenzene, 510459_ALDRICH, CID140498

Molecular Formula: C6H3Cl2IMolecular Weight: 272.898490 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ZMPGXSFTXBOKFM-UHFFFAOYSA-N

• 2-Bromo-4-ChloroBenzonitrile
IUPAC Name: 2-bromo-4-chlorobenzonitrile | CAS Registry Number: 57381-49-4
Synonyms: 2-Bromo-4-chlorobenzonitrile, ACMC-209lxw, SureCN964656, KSC606O6P, CTK5A6767, MolPort-003-855-222, ANW-32706, AKOS015850274, AG-G-02407, QC-3903, RP08929, AK-81934, KB-86165, FT-0081380, FT-0651122, C-5707, I01-10669

Molecular Formula: C7H3BrClNMolecular Weight: 216.462420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PEAQTMSQUXACRN-UHFFFAOYSA-N

• 4-Bromo-3-chlorotoluene
IUPAC Name: 1-bromo-2-chloro-4-methylbenzene | CAS Registry Number: 6627-51-6
Synonyms: 1-Bromo-2-chloro-4-methylbenzene, NSC60109, CID138789

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

InChIKey: SDTULEXOSNNGAW-UHFFFAOYSA-N

• 2,5-Dimethylbenzonitrile
IUPAC Name: 2,5-dimethylbenzonitrile | CAS Registry Number: 13730-09-1
Synonyms: Benzonitrile, 2,5-dimethyl-, 2,5-Dimethylbenzonitril [German], EINECS 237-297-3, ZINC02242669, CID83688, LS-38697, InChI=1/C9H9N/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,1-2H

Molecular Formula: C9H9NMolecular Weight: 131.174460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OZOQTENKIVKILK-UHFFFAOYSA-N

• 2,6-Dimethyl-4-hydroxybenzaldehyde
IUPAC Name: 4-hydroxy-2,6-dimethylbenzaldehyde | CAS Registry Number: 70547-87-4
Synonyms: 4-Hydroxy-2,6-dimethylbenzaldehyde, SBB008519, FR-2208, TL8004977, InChI=1/C9H10O2/c1-6-3-8(11)4-7(2)9(6)5-10/h3-5,11H,1-2H

Molecular Formula: C9H10O2Molecular Weight: 150.174500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XXTRGLCPRZQPHJ-UHFFFAOYSA-N

• 4-Biphenyl Acetic Acid
IUPAC Name: 2-(4-phenylphenyl)acetic acid | CAS Registry Number: 5728-52-9
Synonyms: felbinac, Dolinac, Traxam, Napageln, Target, Ledergel, Seltouch, Dolonac, Napagel, Selspot, 4-BIPHENYLACETIC ACID, 4-Carboxymethylbiphenyl, 4-Biphenylylacetic acid, Felbinacum [Latin], Biphenylylacetic acid, p-Biphenylylacetic acid, Felbinaco [Spanish], Biphenylacetic acid, Zenol EXUM, Felbinac (TN)

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

InChIKey: QRZAKQDHEVVFRX-UHFFFAOYSA-N

• 1-Bromo-3,4-dichlorobenzene
IUPAC Name: 4-bromo-1,2-dichlorobenzene | CAS Registry Number: 18282-59-2
Synonyms: 3,4-Dichlorophenyl bromide, Benzene, 4-bromo-1,2-dichloro-, 412023_ALDRICH, 4-BROMO-1,2-DICHLOROBENZENE, EINECS 242-160-6, ST5405490, TL80074024, InChI=1/C6H3BrCl2/c7-4-1-2-5(8)6(9)3-4/h1-3

Molecular Formula: C6H3BrCl2Molecular Weight: 225.898020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: CFPZDVAZISWERM-UHFFFAOYSA-N

• 4-Bromo-3-chlorophenyl isothiocyanate
IUPAC Name: 1-bromo-2-chloro-4-isothiocyanatobenzene | CAS Registry Number: 32118-33-5
Synonyms: ZINC02010706, 1-Bromo-2-chloro-4-isothiocyanatobenzene, LS-86389, ISOTHIOCYANIC ACID, 4-BROMO-3-CHLOROPHENYL ESTER, 98041-69-1

Molecular Formula: C7H3BrClNSMolecular Weight: 248.527420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NYJNWHXQEZOISL-UHFFFAOYSA-N

• 2,5-Dimethylbenzylamine
IUPAC Name: (2,5-dimethylphenyl)methanamine | CAS Registry Number: 93-48-1
Synonyms: 1-(2,5-dimethylphenyl)methanamine, EINECS 202-250-8, Benzenemethanamine, 2,5-dimethyl-, ALBB-005353, CID66735, STK500492, BBV-058645

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

InChIKey: LUJNPFWZXIGIPS-UHFFFAOYSA-N

• 2,3-Dimethylbenzylamine
IUPAC Name: (2,3-dimethylphenyl)methanamine | CAS Registry Number: 51586-20-0
Synonyms: (2,3-dimethylphenyl)methanamine, 2,3-dimethylbenzyl amine, 1-(2,3-dimethylphenyl)methanamine, (2,3-dimethylphenyl)methylamine, SBB017637, AC1MCTW6, SureCN15997, 2,3-Dimethyl-benzylamine, 3-(Aminomethyl)-o-xylene, AC1Q2DP9, CHEMBL268979, CTK4J4530, Benzenemethanamine,2,3-dimethyl-, MolPort-000-146-842, ALBB-006176, ANW-45287, CK1112, STK503753, AKOS000169465, AG-B-77461

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

InChIKey: UKLRWOHZBISUMI-UHFFFAOYSA-N

• 4-Bromo-2-methylbenzonitrile
IUPAC Name: 4-bromo-2-methylbenzonitrile | CAS Registry Number: 67832-11-5
Synonyms: 665320_ALDRICH, NSC229305, SBB005832, ZINC01758063

Molecular Formula: C8H6BrNMolecular Weight: 196.043940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LPEBMDFRIKYFCF-UHFFFAOYSA-N

• 5,6-Dimethoxyindole
IUPAC Name: 5,6-dimethoxy-1H-indole | CAS Registry Number: 14430-23-0
Synonyms: 5,6-Dimethoxy-1H-indole, 1H-Indole, 5,6-dimethoxy-, 246255_ALDRICH, EINECS 238-402-5, ZINC00388571, ST5407221, D-4320

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QODBZRNBPUPLEZ-UHFFFAOYSA-N

• 2-Chloro-4-nitrobenzoyl chloride
IUPAC Name: 2-chloro-4-nitrobenzoyl chloride | CAS Registry Number: 7073-36-1
Synonyms: Ambap4950, Benzoyl chloride, 2-chloro-4-nitro-, ZINC02510105, CID81522, EINECS 230-367-4, InChI=1/C7H3Cl2NO3/c8-6-3-4(10(12)13)1-2-5(6)7(9)11/h1-3

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

InChIKey: KTHNITVDTYAHFF-UHFFFAOYSA-N


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