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Trans World Chemicals, Inc.

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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-Butyl-3-thiosemicarbazide
IUPAC Name: 1-amino-3-butylthiourea | CAS Registry Number: 6610-31-7
Synonyms: Butylsemithiocarbazide, n-Butylhydrazinecarbothioamide, 4-BUTYLTHIOSEMICARBAZIDE, ZINC02168525, T0510-7413

Molecular Formula: C5H13N3SMolecular Weight: 147.241820 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 1

InChIKey: KNGDMOLRXYKGAD-UHFFFAOYSA-N

• 1-Benzoyl-4-phenylsemicarbazide
IUPAC Name: 1-benzamido-3-phenylurea | CAS Registry Number: 1152-32-5
Synonyms: 1-benzamido-3-phenylurea, ST50410462, ZINC00083901, AC1LDVMX, Maybridge1_006757, 1-benzamido-3-phenyl-urea, CBDivE_013351, SureCN12305515, CTK4A9244, HMS560L03, MolPort-000-151-359, N-[(phenylcarbamoyl)amino]benzamide, SBB101584, STK414202, 2-benzoyl-N-phenylhydrazinecarboxamide, AKOS001198253, AG-B-89760, MCULE-3637748786, KB-81739, KB-93659

Molecular Formula: C14H13N3O2Molecular Weight: 255.271920 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: WPMMTXFVYJICDR-UHFFFAOYSA-N

• 5-Chloro-2-methylphenol
IUPAC Name: 5-chloro-2-methylphenol | CAS Registry Number: 5306-98-9
Synonyms: 5-Chloro-o-cresol, o-Cresol, 5-chloro-, 2-Methyl-5-chlorophenol, 3-Chloro-6-methylphenol, Phenol, 5-chloro-2-methyl-, 540668_ALDRICH, o-Cresol, 5-chloro- (8CI), EINECS 226-160-3, NSC157349, ZINC00158233, Phenol, 5-chloro-2-methyl- (9CI), NSC 157349

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

InChIKey: KKFPXGXMSBBNJI-UHFFFAOYSA-N

• 3,5-Dimethyl Phenyl Acetonitrile
IUPAC Name: 2-(3,5-dimethylphenyl)acetonitrile | CAS Registry Number: 39101-54-7
Synonyms: (3,5-Dimethylphenyl)acetonitrile, 3,5-Dimethylphenylacetonitrile, Benzeneacetonitrile, 3,5-dimethyl-, ZINC02528063, EINECS 254-292-1, CID123481, A4103/0174930

Molecular Formula: C10H11NMolecular Weight: 145.201040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LMUKNQSVBFEUKR-UHFFFAOYSA-N

• 3-Bromochlorobenzene
IUPAC Name: 1-bromo-3-chlorobenzene | CAS Registry Number: 108-37-2
Synonyms: m-Bromochlorobenzene, m-Chlorobromobenzene, 1-Bromo-3-chlorobenzene, 3-Chlorobromobenzene, m-Chlorophenyl bromide, Benzene, 1-bromo-3-chloro-, m-Bromophenyl chloride, 1-Chloro-3-bromobenzene, 3-Chlorophenyl bromide, 3-BROMOCHLOROBENZENE, 124036_ALDRICH, EINECS 203-575-8, NSC 53548, NSC53548, LS-29192, ST5406221, InChI=1/C6H4BrCl/c7-5-2-1-3-6(8)4-5/h1-4

Molecular Formula: C6H4BrClMolecular Weight: 191.452960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: JRGGUPZKKTVKOV-UHFFFAOYSA-N

• 4-(2,6-Dimethylphenyl)-3-thiosemicarbazide
IUPAC Name: 1-amino-3-(2,6-dimethylphenyl)thiourea | CAS Registry Number: 71058-35-0
Synonyms: AG-G-78060, n-(2,6-dimethylphenyl)hydrazinecarbothioamide, ZINC00156321, AC1LEHM3, AC1Q7EJ4, CTK5D3405, MolPort-001-647-819, AR-1J7548, AKOS001032670, MCULE-4155744396, 1-amino-3-(2,6-dimethylphenyl)thiourea, 3-amino-1-(2,6-dimethylphenyl)thiourea, KB-33651, UPCMLD0ENAT0506-3550:001, FT-0610706, FT-0610708, ST45072151, ST50598939, I09-2562, [(2,6-dimethylphenyl)amino]hydrazinomethane-1-thione

Molecular Formula: C9H13N3SMolecular Weight: 195.284620 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: YEOAXWBYZFHOIZ-UHFFFAOYSA-N

• 3,4-Dimethoxybenzhydrazide
IUPAC Name: 3,4-dimethoxybenzohydrazide | CAS Registry Number: 41764-74-3
Synonyms: Veratrohydrazide, Oprea1_111717, ARONIS006302, EINECS 255-541-7, ZINC01458097, ST5046191, 51707-38-1

Molecular Formula: C9H12N2O3Molecular Weight: 196.203180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LJMQIGMMUZLDOC-UHFFFAOYSA-N

• 2,5-Difluorophenyl Isothiocyanate
IUPAC Name: 1,4-difluoro-2-isothiocyanatobenzene | CAS Registry Number: 206559-57-1
Synonyms: 2,5-Difluorophenyl isothiocyanate, 1,4-Difluoro-2-isothiocyanatobenzene, SBB066523, 2,5-difluorobenzenisothiocyanate, ZINC02390071, PubChem5020, AC1LCBRG, ACMC-1CC0G, 474843_ALDRICH, 2,5-difluorophenylisothiocyanate, CTK4E4806, MolPort-000-154-476, AKOS000212449, 1,4-Difluoro-2-isothiocyanatobenzene;, AG-E-51561, AS00362, AS04356, MCULE-9994119610, Benzene,1,4-difluoro-2-isothiocyanato-, KB-83631

Molecular Formula: C7H3F2NSMolecular Weight: 171.167226 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: QVIDXDRFMDPVLA-UHFFFAOYSA-N

• 5-Bromovaleryl chloride
IUPAC Name: 5-bromopentanoyl chloride | CAS Registry Number: 4509-90-4
Synonyms: 5-Bromopentanoyl chloride, 331317_ALDRICH, ZINC02560396, CID521173, TL8003130

Molecular Formula: C5H8BrClOMolecular Weight: 199.473420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OKRUMSWHDWKGHA-UHFFFAOYSA-N

• 4-(3,4-Dichlorophenyl)-3-thiosemicarbazide
IUPAC Name: (3,4-dichloroanilino)thiourea | CAS Registry Number: 13124-09-9
Synonyms: MLS000861046, ZINC00069311, CID3759638, SMR000459830, 2-(3,4-dichlorophenyl)hydrazine-1-carbothioamide, 10T-0017

Molecular Formula: C7H7Cl2N3SMolecular Weight: 236.121580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 1

InChIKey: KFDCINBRGZTQLH-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

• 5-Cyclohexyl-O-Anisidine
IUPAC Name: 5-cyclohexyl-2-methoxyaniline | CAS Registry Number: 206559-52-6
Synonyms: 5-cyclohexyl-2-methoxyaniline, AC1MBX50, AC1Q4C4R, SureCN1264565, 5-cyclohexyl-2-methoxyphenylamine, MolPort-000-153-758, SBB017766, ZINC02562416, FT-0676452, ST51041884, C-6279

Molecular Formula: C13H19NOMolecular Weight: 205.296060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZGCZLEYNQKVVMJ-UHFFFAOYSA-N

• 2-Bromobenzhydrazide
IUPAC Name: 2-bromobenzohydrazide | CAS Registry Number: 29418-67-5
Synonyms: 2-Bromobenzohydrazide, NSC522536, Benzoic acid, 2-bromo-, hydrazide, EINECS 249-614-2, CID101460, STK229692, ZINC00156198, T0515-3046

Molecular Formula: C7H7BrN2OMolecular Weight: 215.047280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PQNLAYLOCZKPIY-UHFFFAOYSA-N

• 4-Bromovalerophenone
IUPAC Name: 1-(4-bromophenyl)pentan-1-one | CAS Registry Number: 7295-44-5
Synonyms: 4'-Bromovalerophenone, p-Bromophenyl butyl ketone, Maybridge1_002230, p-BROMO VALEROPHENONE, 221414_ALDRICH, 1-Pentanone, 1-(4-bromophenyl)-, NSC76560, EINECS 230-729-1, ZINC01707942, ST5319814

Molecular Formula: C11H13BrOMolecular Weight: 241.124320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: STYJKBMRWQQJIS-UHFFFAOYSA-N

• 5-bromo-m-xylene
IUPAC Name: 1-bromo-3,5-dimethylbenzene | CAS Registry Number: 556-96-7
Synonyms: 5-Bromo-m-xylene, m-Xylene, 5-bromo-, Benzene, 1-bromo-3,5-dimethyl-, 1-Bromo-3,5-dimethylbenzene, 276316_ALDRICH, CID136357, ST5405132, TL8003633, InChI=1/C8H9Br/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H

Molecular Formula: C8H9BrMolecular Weight: 185.061060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: LMFRTSBQRLSJHC-UHFFFAOYSA-N

• 2,5-Dibromophenyl Isothiocyanate
IUPAC Name: 1,4-dibromo-2-isothiocyanatobenzene | CAS Registry Number: 98041-67-9
Synonyms: 2,5-Dibromophenyl isothiocyanate, 1,4-dibromo-2-isothiocyanatobenzene, ZINC04254252, PubChem3982, AC1MBX9H, CTK3I6491, 2, 5-dibromophenyl isothiocyanate, MolPort-000-153-904, SBB066505, 1,4-dibromo-2-isothiocyanato-benzene, AKOS012837356, AS00356, AS04326, KB-88430, 1,4-bis(bromanyl)-2-isothiocyanato-benzene, FT-0642356, X8420, A845796, I09-0768

Molecular Formula: C7H3Br2NSMolecular Weight: 292.978420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JYMRVQQSUHKIST-UHFFFAOYSA-N

• 4-Chlorodiphenyl ether
IUPAC Name: 1-chloro-4-(phenoxy)benzene | CAS Registry Number: 7005-72-3
Synonyms: Chlorodiphenyl ether, p-Chlorodiphenyl oxide, 1-Chloro-4-phenoxybenzene, Benzene, chlorophenoxy-, Ether, p-chlorophenyl phenyl, Benzene, 1-chloro-4-phenoxy-, Phenyl ether mono-chloro, Monochloro diphenyl ether, Monochloro diphenyl oxide, 4-Chlorophenyl phenyl ether, Monochlorodiphenyl oxide, 4-Monochlorodiphenyl oxide, ETHER, MONOCHLOROPHENYL, 357650_ALDRICH, P-CHLOROPHENYL PHENYL ETHER, HSDB 6176, NSC61839, EINECS 230-281-7, Ether, p-chlorophenyl phenyl (8CI), NSC 61839

Molecular Formula: C12H9ClOMolecular Weight: 204.652260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PGPNJCAMHOJTEF-UHFFFAOYSA-N

• 2,4-Dichlorobenzenesulphonyl chloride
IUPAC Name: 2,4-dichlorobenzenesulfonyl chloride | CAS Registry Number: 16271-33-3
Synonyms: 2,4-Dichlorobenzenesulfonyl chloride, 545694_ALDRICH, Benzenesulfonyl chloride, 2,4-dichloro-, BRN 2806192, LS-32138, 4-11-00-00132 (Beilstein Handbook Reference)

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

InChIKey: FDTPBIKNYWQLAE-UHFFFAOYSA-N

• 2-Fluorodiphenylmethane
IUPAC Name: 1-fluoro-2-(phenylmethyl)benzene | CAS Registry Number: 3794-15-8
Synonyms: 1-Benzyl-2-fluorobenzene, NCIOpen2_001931, NSC99453

Molecular Formula: C13H11FMolecular Weight: 186.224843 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YWWVDXKZLGXVHT-UHFFFAOYSA-N

• 4-Chlorophenylurea
IUPAC Name: (4-chlorophenyl)urea | CAS Registry Number: 140-38-5
Synonyms: (p-Chlorophenyl)urea, p-CPU, Urea, (p-chlorophenyl)-, Urea, (4-chlorophenyl)-, 1-(p-Chlorophenyl)urea, P-CHLOROPHENYLUREA, 1-(4-chlorophenyl)urea, Maybridge1_007118, (4-CHLOROPHENYL)UREA, Urea, 1-(p-chlorophenyl)-, MLS001005702, NSC12971, EINECS 205-412-6, CID8796, NSC 12971, AIDS166485, Urea, (p-chlorophenyl)- (8CI), AIDS-166485, BRN 0908492, NSC400071

Molecular Formula: C7H7ClN2OMolecular Weight: 170.596280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: RECCURWJDVZHIH-UHFFFAOYSA-N

• 4-Ethylbenzyl chloride
IUPAC Name: 1-(chloromethyl)-4-ethylbenzene | CAS Registry Number: 1467-05-6
Synonyms: p-Ethylbenzylchloride, 1-(Chloromethyl)-4-ethylbenzene, Benzene, (chloromethyl)ethyl-, Benzene, 1-(chloromethyl)-4-ethyl-, Toluene, .alpha.-chloro-p-ethyl-, Toluene, .alpha.-chloro-ar-ethyl-, AI3-20885, TL8001028

Molecular Formula: C9H11ClMolecular Weight: 154.636640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: DUBCVXSYZVTCOC-UHFFFAOYSA-N

• 2,4-Dimethylphenethylamine
IUPAC Name: 2-(2,4-dimethylphenyl)ethanamine | CAS Registry Number: 76935-60-9
Synonyms: 2-(2,4-dimethylphenyl)ethanamine, 2,4-dimethylbenzeneethanamine, SBB017645, 2-(2,4-dimethylphenyl)ethan-1-amine, AC1Q2LWM, SureCN855681, AC1L97HI, AC1Q2HZ6, Benzeneethanamine,2,4-dimethyl-, CTK5E3609, MolPort-000-154-858, 2-(2,4-dimethylphenyl)ethylamine, ANW-56091, AKOS000155206, AG-B-85108, AG-H-07266, MCULE-7371791215, AK-36337, KB-17695, EN300-55713

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

InChIKey: VQGZTRKXOUWMAC-UHFFFAOYSA-N

• 2-Fluorobenzhydrazide
IUPAC Name: 2-fluorobenzohydrazide | CAS Registry Number: 446-24-2
Synonyms: 2-Fluorobenzohydrazide, 2 Flurobenzhydrazide, 2-Fluorobenzoic hydrazide, 536288_ALDRICH, NSC522532, CID136288, ZINC00166452, ST5214618

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

InChIKey: YJCCKQQVXNNAAR-UHFFFAOYSA-N

• 2-Ethylbenzonitrile
IUPAC Name: 2-ethylbenzonitrile | CAS Registry Number: 34136-59-9
Synonyms: o-Ethylbenzonitrile, 527718_ALDRICH, MolPort-000-155-162, ZINC02507889, CID123443

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

InChIKey: UZDXATQPJOOHQJ-UHFFFAOYSA-N

• 3,5-Dimethoxyphenylacetic acid
IUPAC Name: 2-(3,5-dimethoxyphenyl)acetic acid | CAS Registry Number: 4670-10-4
Synonyms: (3,5-dimethoxyphenyl)acetic acid, 405833_ALDRICH, AIDS017880, (3,5-Dimethoxy-phenyl)acetic acid, AIDS-017880, benzeneacetic acid, 3,5-dimethoxy-, SBB006648, InChI=1/C10H12O4/c1-13-8-3-7(5-10(11)12)4-9(6-8)14-2/h3-4,6H,5H2,1-2H3,(H,11,12

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

InChIKey: FFPAFDDLAGTGPQ-UHFFFAOYSA-N

• 2,6-Diisopropylphenyl isothiocyanate
IUPAC Name: 2-isothiocyanato-1,3-di(propan-2-yl)benzene | CAS Registry Number: 25343-70-8
Synonyms: 1,3-Diisopropyl-2-isothiocyanatobenzene, ZINC02390165, CID141194

Molecular Formula: C13H17NSMolecular Weight: 219.345780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HZGOUCYIYIFQHX-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

• 1-Chloro-2,4-Dimethoxybenzene
IUPAC Name: 1-chloro-2,4-dimethoxybenzene | CAS Registry Number: 7051-13-0
Synonyms: 1-Chloro-2,4-dimethoxybenzene, ZINC02528186, CID138905

Molecular Formula: C8H9ClO2Molecular Weight: 172.608860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OACCRGFGCIQFNR-UHFFFAOYSA-N

• 2-Ethoxyphenyl Isothiocyanate
IUPAC Name: 1-ethoxy-2-isothiocyanatobenzene | CAS Registry Number: 23163-84-0
Synonyms: o-Ethoxyphenyl isothiocyanate, 1-Ethoxy-2-isothiocyanatobenzene, Benzene, 1-ethoxy-2-isothiocyanato-, EINECS 245-468-9, CID123407, STK300023, ZINC00153362, BBR-000834

Molecular Formula: C9H9NOSMolecular Weight: 179.238860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MAHMRCJOZYLGOW-UHFFFAOYSA-N

• 4-Benzyloxyphenylacetonitrile
IUPAC Name: 2-(4-phenylmethoxyphenyl)acetonitrile | CAS Registry Number: 838-96-0
Synonyms: 4-benzyloxybenzyl cyanide, 2-(4-(benzyloxy)phenyl)acetonitrile, SBB068652, 2-[4-(benzyloxy)phenyl]acetonitrile, 2-[4-(phenylmethoxy)phenyl]ethanenitrile, ZINC00391686, ACMC-20amoi, AC1LAXEM, PubChem15926, AGN-PC-004LQI, SureCN2277105, 4-Benzyl-Oxyphenylacetonitrile, AC1Q4S17, CTK5F1383, [4-(benzyloxy)phenyl]acetonitrile, MolPort-000-151-443, ACT03882, 2-(4-phenylmethoxyphenyl)acetonitrile, AKOS000184480, AG-H-34892

Molecular Formula: C15H13NOMolecular Weight: 223.269820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QKEYZRVDFZDOEP-UHFFFAOYSA-N

• 2-Fluorostyrene
IUPAC Name: 1-ethenyl-2-fluorobenzene | CAS Registry Number: 394-46-7
Synonyms: o-Fluorostyrene, 1-Fluoro-2-vinylbenzene, Benzene, 1-ethenyl-2-fluoro-, 290505_ALDRICH, EINECS 206-896-1, InChI=1/C8H7F/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H

Molecular Formula: C8H7FMolecular Weight: 122.139583 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YNQXOOPPJWSXMW-UHFFFAOYSA-N

• 2-Aminopyridine
IUPAC Name: pyridin-2-amine | CAS Registry Number: 504-29-0
Synonyms: 2-Pyridinamine, 2-AMINOPYRIDINE, 2-Pyridylamine, o-Aminopyridine, 2-Aminopryidine, Aminopyridine, Pyridinamine, pyridin-2-amine, alpha-Pyridinamine, alpha-Pyridylamine, Amino-2 pyridine, Pyridine, amino-, 2-Pyridinylnitrene, alpha-Aminopyridine, 2-pyridinylamine, Pyridine, 2-amino-, .beta.-Pyridylamine, .alpha.-Pyridinamine, .alpha.-Pyridylamine, Pyridinamine (9CI)

Molecular Formula: C5H6N2Molecular Weight: 94.114540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ICSNLGPSRYBMBD-UHFFFAOYSA-N

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

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

InChIKey: NYJNWHXQEZOISL-UHFFFAOYSA-N

• 4-Bromothiobenzamide
IUPAC Name: 4-bromobenzenecarbothioamide | CAS Registry Number: 26197-93-3
Synonyms: 4-bromobenzenecarbothioamide, benzenecarbothioamide, 4-bromo-, NSC281618, ZINC01563992, T5220333, InChI=1/C7H6BrNS/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10

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

InChIKey: AIPANIYQEBQYGC-UHFFFAOYSA-N

• 3,4-Dimethoxy-b-nitrostyrene
IUPAC Name: 1,2-dimethoxy-4-(2-nitroethenyl)benzene | CAS Registry Number: 4230-93-7
Synonyms: Oprea1_051858, CBDivE_000231, NSC7390, NSC31600, ZINC00099489

Molecular Formula: C10H11NO4Molecular Weight: 209.198640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: SYJMYDMKPSZMSB-UHFFFAOYSA-N

• 2,5-Dichlorophenylthiourea
IUPAC Name: (2,5-dichlorophenyl)thiourea | CAS Registry Number: 4949-85-3
Synonyms: Maybridge1_007198, 2,5-Dichlorophenyl thiourea, MLS000861651, N-(2,5-Dichlorophenyl)thiourea, NSC635820, AIDS135642, Thiourea, (2,5-dichlorophenyl)-, NSC 635820, AIDS-135642, BRN 2212146, ZINC13658984, Urea, 1-(2,5-dichlorophenyl)-2-thio-, BBV-212382, CID2731095, NCI60_011914, SMR000460435, Thiourea, (2,5-dichlorophenyl)- (9CI), LS-159765, 4-12-00-01254 (Beilstein Handbook Reference)

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

InChIKey: UQCOANNCPUOZNW-UHFFFAOYSA-N

• 1-ethyl-4-iodobenzene
IUPAC Name: ethyl 4-iodobenzoate | CAS Registry Number: 51934-41-9
Synonyms: Ethyl 4-iodobenzoate, p-Iodobenzoic acid ethyl ester, 641979_ALDRICH, 66952_FLUKA, 75022_FLUKA, ZINC00157316

Molecular Formula: C9H9IO2Molecular Weight: 276.071030 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YCBJOQUNPLTBGG-UHFFFAOYSA-N

• 5-Bromo-thiophene-2-carboxylic acid hydrazide
IUPAC Name: 5-bromothiophene-2-carbohydrazide | CAS Registry Number: 98027-27-1
Synonyms: 5-bromothiophene-2-carbohydrazide, ZINC02574314, ALBB-002747, CID2063863, IVK/1009533

Molecular Formula: C5H5BrN2OSMolecular Weight: 221.075000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: OFXZACLPQYOIAV-UHFFFAOYSA-N

• 3-(4-Fluorophenyl)propionic acid
IUPAC Name: 3-(4-fluorophenyl)propanoic acid | CAS Registry Number: 459-31-4
Synonyms: TimTec1_000950, 3-(4-Fluorophenyl)propanoic acid, 560502_ALDRICH, NSC403021, CID136302, 4-(4-Fluorophenyl)-4-oxobutyric acid, NCGC00174948-01, ST012421

Molecular Formula: C9H9FO2Molecular Weight: 168.164963 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZMKXWDPUXLPHCA-UHFFFAOYSA-N

• 2-Ethyl-6-Methylphenyl Isothiocyanate
IUPAC Name: 1-ethyl-2-isothiocyanato-3-methylbenzene | CAS Registry Number: 66609-04-9
Synonyms: 2-Ethyl-6-methylphenyl isothiocyanate, ZINC00164806, CID144188, 1-Ethyl-2-isothiocyanato-3-methylbenzene, BBR-044649

Molecular Formula: C10H11NSMolecular Weight: 177.266040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IPCSOFYQRXYMDN-UHFFFAOYSA-N

• 3-Bromo-4-methoxybenzoic acid
IUPAC Name: 3-bromo-2-methoxybenzoic acid | CAS Registry Number: 99-58-1
Synonyms: 3-BROMOANISIC ACID, NSC76704, CID253598

Molecular Formula: C8H7BrO3Molecular Weight: 231.043380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PIBPHOFXQUUPTM-UHFFFAOYSA-N

• 4-Bromo-3-methylanisole
IUPAC Name: 1-bromo-4-methoxy-2-methylbenzene | CAS Registry Number: 27060-75-9
Synonyms: 2-Bromo-5-methoxytoluene, 4-Bromo-3-methyl-anisole, 385409_ALDRICH, 1-bromo-4-methoxy-2-methylbenzene, Benzene, 1-bromo-4-methoxy-2-methyl-, ZINC00395496, B224, ST5405134, TL8002187

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

InChIKey: BLZNSXFQRKVFRP-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-Dimethylphenyl Isothiocyanate
IUPAC Name: 2-isothiocyanato-1,4-dimethylbenzene | CAS Registry Number: 19241-15-7
Synonyms: 2,5-Dimethylphenyl isothiocyanate, 2-Isothiocyanato-1,4-dimethylbenzene, ZINC00164710, CID140499, STK397852, T0511-4800

Molecular Formula: C9H9NSMolecular Weight: 163.239460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RCBXZRJVMSWGAO-UHFFFAOYSA-N

• 3-Chloro-2-Methylanisole
IUPAC Name: 1-chloro-3-methoxy-2-methylbenzene | CAS Registry Number: 3260-88-6
Synonyms: 3-Chloro-2-methylanisole, 523232_ALDRICH, ZINC00403412, CID76749, EINECS 221-862-6

Molecular Formula: C8H9ClOMolecular Weight: 156.609460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LTVRGAWOEOKGJZ-UHFFFAOYSA-N

• 4-Fluorophenylthiourea
IUPAC Name: (4-fluorophenyl)thiourea | CAS Registry Number: 459-05-2
Synonyms: N-(4-Fluorophenyl)thiourea, (4-Fluorophenyl)thiourea, 632945_ALDRICH, 1-[p-Fluorophenyl]-2-thiourea, 1-(4-Fluorophenyl)-2-thiourea, ZINC00064840, ST5076851, AF-399/25108015

Molecular Formula: C7H7FN2SMolecular Weight: 170.207283 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: BRWKXKNZRVALNZ-UHFFFAOYSA-N

• 9-Fluorenone-2-carboxylic acid
IUPAC Name: 9-oxofluorene-2-carboxylic acid | CAS Registry Number: 784-50-9
Synonyms: Fluorenone-2-carboxylic acid, F1530_ALDRICH, 9-Oxofluoren-2-carboxylic acid, 9-Oxo-2-fluorenecarboxylic acid, NSC81258, EINECS 212-317-3, NSC113321, 9-Oxo-9H-fluorene-2-carboxylic acid, ST5308278

Molecular Formula: C14H8O3Molecular Weight: 224.211520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BJCTXUUKONLPPK-UHFFFAOYSA-N

• 3,4-Dimethylphenyl Isothiocyanate
IUPAC Name: 4-isothiocyanato-1,2-dimethylbenzene | CAS Registry Number: 19241-17-9
Synonyms: 3,4-Xylyl isothiocyanate, 3,4-Dimethylphenyl isothiocyanate, 4-Isothiocyanato-1,2-dimethylbenzene, CID140500, ZINC00164212, T0520-2880

Molecular Formula: C9H9NSMolecular Weight: 163.239460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JFSHJWKBNJMGOK-UHFFFAOYSA-N

• 2,5 Dimethyl Benzyl Cyanide
IUPAC Name: 2-(2,5-dimethylphenyl)acetonitrile | CAS Registry Number: 16213-85-7
Synonyms: 2,5-Xylylacetonitrile, 2,5-Dimethylbenzyl cyanide, (2,5-Xylyl)acetonitrile, Ambap7498, 2,5-Dimethylphenylacetonitrile, 2,5-Dimethylbenzeneacetonitrile, NCIOpen2_001008, (2,5-Dimethylphenyl)acetonitrile, EINECS 240-339-3, NSC 85352, ACETONITRILE, (2,5-XYLYL)-, Benzeneacetonitrile, 2,5-dimethyl-, NSC85352, BRN 2084136, ZINC01760298, LS-13318, Benzeneacetonitrile, 2,5-dimethyl- (9CI), 3-09-00-02486 (Beilstein Handbook Reference)

Molecular Formula: C10H11NMolecular Weight: 145.201040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HCELORQTHSKCQL-UHFFFAOYSA-N

• 4-Fluorobenzyl isothiocyanate
IUPAC Name: 1-fluoro-4-(isothiocyanatomethyl)benzene | CAS Registry Number: 2740-88-7
Synonyms: p-Fluorobenzyl isothiocyanate, EINECS 220-368-8, ZINC01841066, Benzene, 1-fluoro-4-(isothiocyanatomethyl)-

Molecular Formula: C8H6FNSMolecular Weight: 167.203343 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LPVNPJMEWWUFHD-UHFFFAOYSA-N


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