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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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• 3,5-Dichlorophenyl Isothiocyanate
IUPAC Name: 1,3-dichloro-5-isothiocyanatobenzene | CAS Registry Number: 6590-93-8
Synonyms: 3,5-Dichlorophenyl isothiocyanate, 475998_ALDRICH, 1,3-Dichloro-5-isothiocyanatobenzene, ZINC00164704, CID138776, BBR-059926

Molecular Formula: C7H3Cl2NSMolecular Weight: 204.076420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JLEMKZDHFGCHLO-UHFFFAOYSA-N

• 2-Fluorobenzyl isothiocyanate
IUPAC Name: 1-fluoro-2-(isothiocyanatomethyl)benzene | CAS Registry Number: 64382-80-5
Synonyms: ZINC02168970, CID144050, 1-Fluoro-2-(isothiocyanatomethyl)benzene

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

InChIKey: HHJNPMOABDDXEL-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

• 4-Fluoro-Thiobenzamide
IUPAC Name: 4-fluorobenzenecarbothioamide | CAS Registry Number: 22179-72-2
Synonyms: 4-Fluorothiobenzamide, ZINC00165748, EINECS 244-820-9, CID737223, T5226041

Molecular Formula: C7H6FNSMolecular Weight: 155.192643 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VQFOHZWOKJQOGO-UHFFFAOYSA-N

• 2',4'-Dimethoxyacetophenone
IUPAC Name: 1-(2,4-dimethoxyphenyl)ethanone | CAS Registry Number: 829-20-9
Synonyms: 2,4-Dimethoxyacetophenone, Resacetophenone dimethyl ether, D129402_ALDRICH, NSC46645, Acetophenone, 2',4'-dimethoxy-, Ethanone, 1-(2,4-dimethoxyphenyl)-, CID70016, EINECS 212-587-2, ZINC01678791, 1-(2,4-Dimethoxyphenyl)ethan-1-one, SDCCGMLS-0066943.P001, AI3-10505, ST5214359

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VQTDPCRSXHFMOL-UHFFFAOYSA-N

• 4-Fluorophenyl isothiocyanate
IUPAC Name: 1-fluoro-4-isothiocyanatobenzene | CAS Registry Number: 1544-68-9
Synonyms: p-Fluorophenyl isothiocyanate, WLN: SCNR DF, Benzene, 1-fluoro-4-isothiocyanato-, 128406_ALDRICH, EINECS 216-280-4, NSC 78433, BB_SC-1854, CID15241, NSC78433, BRN 0636596, ZINC00167224, ISOTHIOCYANIC ACID, p-FLUOROPHENYL ESTER, FS000045, LS-86421, TL8006931, 4-12-00-01110 (Beilstein Handbook Reference)

Molecular Formula: C7H4FNSMolecular Weight: 153.176763 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NFIUJHJMCQQYDL-UHFFFAOYSA-N

• 2,4-Dimethoxyphenyl isothiocyanate
IUPAC Name: 1-isothiocyanato-2,4-dimethoxybenzene | CAS Registry Number: 33904-03-9
Synonyms: 1-isothiocyanato-2,4-dimethoxybenzene, SBB030515, 1-isothiocyanato-2,4-dimethoxy-benzene, 2,4-dimethoxybenzenisothiocyanate, ZINC00164845, ACMC-20aock, AC1Q48ZX, AC1MC526, CTK3J5828, MolPort-000-154-661, STK397871, AKOS000212353, AG-B-82694, MCULE-4236950333, BP-10900, KB-67460, FT-0610140, FT-0610142, ST50587711, A821994

Molecular Formula: C9H9NO2SMolecular Weight: 195.238260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: CNXSCEPTSXPBTP-UHFFFAOYSA-N

• 2-(4-Chlorophenyl)-2-Cyanoacetaldehyde
IUPAC Name: 2-(4-chlorophenyl)-3-oxopropanenitrile | CAS Registry Number: 62538-21-0
Synonyms: USAF EL-67, BRN 0743641, alpha-Formyl-p-chlorophenylacetonitrile, CID44090, AKI-BBV-00031775, STK244804, ZINC19933327, 2-(4-chlorophenyl)-3-oxopropanenitrile, BBV-27119023, LS-13230, ACETONITRILE, 2-(p-CHLOROPHENYL)-2-FORMYL-, 3-10-00-03025 (Beilstein Handbook Reference)

Molecular Formula: C9H6ClNOMolecular Weight: 179.603040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DAEXXSXAEMFPHQ-UHFFFAOYSA-N

• 3,5-Dimethylphenylthiourea
IUPAC Name: (3,5-dimethylphenyl)thiourea | CAS Registry Number: 97480-60-9
Synonyms: 1-(3,5-dimethylphenyl)thiourea, NSC637006, (3,5-Dimethylphenyl)thiourea, N-(3,5-Dimethylphenyl)thiourea, ST51007222, AC1LEHM9, AC1Q2J3U, AC1Q7EJ7, MLS000375347, 654817_ALDRICH, CTK5H9357, MolPort-001-760-723, HMS2566B13, KST-1B9559, AR-1B1294, BBL023764, STL353617, ZINC08687477, 1-(3,5-Dimethylphenyl)-2-thiourea, AKOS000113773

Molecular Formula: C9H12N2SMolecular Weight: 180.269980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: XOAYHDJRYDSPJZ-UHFFFAOYSA-N

• 4-Chloro-3-iodobenzoic acid
IUPAC Name: 4-chloro-3-iodobenzoic acid | CAS Registry Number: 42860-04-8
Synonyms: 4-chloro-3-iodobenzoic acid, 3-Iodo-4-chlorobenzoic acid, SBB064809, 4-chloro-3-iodo-benzoic Acid, PubChem12500, AC1MBWA1, SureCN774819, Benzoic acid,4-chloro-3-iodo-, CTK4I6704, Benzoic acid, 4-chloro-3-iodo-, MolPort-000-153-154, AC1Q7319, ACT12177, ANW-74679, AKOS000109282, AG-F-52149, MCULE-7886900905, AK-35135, EN001004, KB-37898

Molecular Formula: C7H4ClIO2Molecular Weight: 282.462930 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SDRURVZKYHGDAP-UHFFFAOYSA-N

• 2,6-Dimethylbenzylamine
IUPAC Name: (2,6-dimethylphenyl)methanamine | CAS Registry Number: 74788-82-2
Synonyms: (2,6-dimethylphenyl)methanamine, SBB069882, AG-G-97615, PubChem7406, 2, 6-Dimethylbenzylamine, 2-(Methylamino)-m-xylene, SureCN394915, CTK5E0514, Benzenemethanamine,2,6-dimethyl-, MolPort-003-983-900, ANW-72250, AKOS006346219, AM83167, RP20222, AK-45585, KB-18394, FT-0657051, A838228, I01-5504

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

InChIKey: ZFDBHFFKSQCNML-UHFFFAOYSA-N

• 2,4-Dichlorobenzhydrazide
IUPAC Name: 2,4-dichlorobenzohydrazide | CAS Registry Number: 5814-06-2
Synonyms: 2,4-dichlorobenzohydrazide, MLS000391451, NSC150855, CID138596, ZINC00039561, SMR000260487, AG-205/15424553, A1029/0048217, SR-01000642942-1

Molecular Formula: C7H6Cl2N2OMolecular Weight: 205.041340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: QOJQHOGSXXSMKX-UHFFFAOYSA-N

• 4-Benzyloxybenzyl alcohol
IUPAC Name: [4-(phenylmethoxy)phenyl]methanol | CAS Registry Number: 836-43-1
Synonyms: p-Benzyloxybenzyl alcohol, p-Benzyloxybenzyl chloride, 4-(Benzyloxy)benzyl alcohol, 187372_ALDRICH, 13613_FLUKA, EINECS 212-649-9, NSC131675, ZINC02504423, ST5308574, TL8005486, C11834

Molecular Formula: C14H14O2Molecular Weight: 214.259760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OEBIVOHKFYSBPE-UHFFFAOYSA-N

• 2-ethoxyphenethylamine
IUPAC Name: 2-(2-ethoxyphenyl)ethanamine | CAS Registry Number: 39590-27-7
Synonyms: 2-Ethoxyphenethylamine, 2-(2-Ethoxyphenyl)ethanamine

Molecular Formula: C10H15NOMolecular Weight: 165.232200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VDSGSZWDSYFYCJ-UHFFFAOYSA-N

• 3-Bromobenzhydrazide
IUPAC Name: 3-bromobenzohydrazide | CAS Registry Number: 39115-96-3
Synonyms: m-Bromobenzohydrazide, 3-Bromobenzoic hydrazide, 3-Bromobenzoic acid hydrazide, 259888_ALDRICH, EINECS 254-298-4, STK249315, ZINC00409177

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

InChIKey: BNAQRAZIPAHWAR-UHFFFAOYSA-N

• 3,4-Dichlorobenzyl Isothiocyanate
IUPAC Name: 1,2-dichloro-4-(isothiocyanatomethyl)benzene | CAS Registry Number: 18967-42-5
Synonyms: WLN: SCN1R CG DG, 3,4-Dichlorobenzyl isothiocyanate, NSC221245, NSC 221245, CID29350, BRN 2937608, ZINC01755947, Benzene, 1,2-dichloro-4-(isothiocyanatomethyl)-, ISOTHIOCYANIC ACID, (3,4-DICHLOROBENZYL) ESTER, LS-86412, 4-12-00-02393 (Beilstein Handbook Reference), Benzene, 1,2-dichloro-4-(isothiocyanatomethyl)- (9CI)

Molecular Formula: C8H5Cl2NSMolecular Weight: 218.103000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DPSSHXWTNIGVMQ-UHFFFAOYSA-N

• 3-Fluorophenyl Isothiocyanate
IUPAC Name: 1-fluoro-3-isothiocyanatobenzene | CAS Registry Number: 404-72-8
Synonyms: m-Fluorophenyl isothiocyanate, 3-Fluorophenyl isothiocyanate, WLN: SCNR CF, Benzene, 1-fluoro-3-isothiocyanato-, F14351_ALDRICH, 1-Fluoro-3-isothiocyanatobenzene, EINECS 206-967-7, CID9834, NSC 78432, BB_SC-1835, NSC78432, BRN 2081172, STK801393, ZINC00167163, ISOTHIOCYANIC ACID, m-FLUOROPHENYL ESTER, LS-86420, 3-12-00-01276 (Beilstein Handbook Reference)

Molecular Formula: C7H4FNSMolecular Weight: 153.176763 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HDBACITVPQEAGG-UHFFFAOYSA-N

• 4-Benzyloxyanisole
IUPAC Name: 1-methoxy-4-(phenylmethoxy)benzene | CAS Registry Number: 6630-18-8
Synonyms: 4-BENZYLOXYANISOLE, Ether, benzyl p-methoxyphenyl, 1-(benzyloxy)-4-methoxybenzene, Benzene, 1-methoxy-4-(phenylmethoxy)-, NSC60031, ZINC00393839, ST5409353, AE-095/31499005

Molecular Formula: C14H14O2Molecular Weight: 214.259760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YXPFQYIWXTVCKV-UHFFFAOYSA-N

• 2,2-Dimethylsuccinic Anhydride
IUPAC Name: 3,3-dimethyloxolane-2,5-dione | CAS Registry Number: 17347-61-4
Synonyms: 2,2-Dimethylsuccinic anhydride, 357693_ALDRICH, CID87067, EINECS 241-371-0, Dihydro-3,3-dimethyl-2,5-furandione, Dihydro-3,3-dimethylfuran-2,5-dione, BBV-1089994, 2,5-Furandione, dihydro-3,3-dimethyl-, I04-0356

Molecular Formula: C6H8O3Molecular Weight: 128.125920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ACJPFLIEHGFXGP-UHFFFAOYSA-N

• 2,4-Dichlorophenylthiourea
IUPAC Name: (2,4-dichlorophenyl)thiourea | CAS Registry Number: 6326-14-3
Synonyms: Maybridge1_008642, MLS000835021, N-(2,4-dichlorophenyl)thiourea, NSC31189, ZINC13657234, BBV-212394, CID2746442, SMR000461637

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

InChIKey: HSWCDFOASWNGOM-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

• 3-Acetoxybenzaldehyde
IUPAC Name: (3-formylphenyl) acetate | CAS Registry Number: 34231-78-2
Synonyms: 3-Formylphenyl acetate, Benzaldehyde, 3-(acetyloxy)-, EINECS 251-890-4, ZINC02146872, FS011360, AI3-31881, ST5411473, InChI=1/C9H8O3/c1-7(11)12-9-4-2-3-8(5-9)6-10/h2-6H,1H

Molecular Formula: C9H8O3Molecular Weight: 164.158020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GVUMZPWBUAGJBP-UHFFFAOYSA-N

• 5-Chloro-2,4-dimethoxyphenyl isothiocyanate
IUPAC Name: 1-chloro-5-isothiocyanato-2,4-dimethoxybenzene | CAS Registry Number: 40046-27-3
Synonyms: ZINC02169693, BB_SC-1836, CID142404, 1-Chloro-5-isothiocyanato-2,4-dimethoxybenzene

Molecular Formula: C9H8ClNO2SMolecular Weight: 229.683320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BXJOFCAXBGIDIR-UHFFFAOYSA-N

• 2-Bromo-3-Chlorotoluene
IUPAC Name: 2-bromo-1-chloro-3-methylbenzene | CAS Registry Number: 69190-56-3
Synonyms: 2-Bromo-3-chlorotoluene, 2-bromo-1-chloro-3-methylbenzene, PubChem3598, AC1MC3KP, ACMC-209o6h, SureCN2268836, CTK5C9213, MolPort-000-151-857, ANW-35607, ZINC02528192, Benzene,2-bromo-1-chloro-3-methyl-, AKOS015890149, AG-G-68982, AM82891, 2-bromanyl-1-chloranyl-3-methyl-benzene, AK-76810, BP-11105, KB-21162, FT-0611414, ST51051979

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

InChIKey: ADSIBTDRKLGGEO-UHFFFAOYSA-N

• 2-Amino-3-Methyl Benzoic Acid
IUPAC Name: 2-amino-3-methylbenzoic acid | CAS Registry Number: 4389-45-1
Synonyms: 2-Amino-3-methylbenzoic acid, 3-Methylanthranilic acid, 3-methylanthranilate, 3-Methylanthranil acid, 2-Amino-3-methylbenzate, 3 -methylanthranilic acid, 3-Methyl-2-aminobenzoic acid, m-Toluic acid, 2-amino-, Benzoic acid, 2-amino-3-methyl-, A62205_ALDRICH, 2-AMINO-M-TOLUIC ACID, 08401_FLUKA, m-Toluic acid, 2-amino- (8CI), NSC16049, EINECS 224-505-2, CPD0-1490, NSC 16049, Benzoic acid, 2-amino-3-methyl- (9CI), ST5437295, TL8003074

Molecular Formula: C8H9NO2Molecular Weight: 151.162560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WNAJXPYVTFYEST-UHFFFAOYSA-N

• 2-Chloro-4-iodo-1-methylbenzene
IUPAC Name: 2-chloro-4-iodo-1-methylbenzene | CAS Registry Number: 83846-48-4
Synonyms: 2-Chloro-4-iodotoluene, EINECS 281-024-0, CID2801329

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

InChIKey: PJYASWQMTNNSSL-UHFFFAOYSA-N

• 3-Chloro-2-Methylbenzylamine
IUPAC Name: (3-chloro-2-methylphenyl)methanamine | CAS Registry Number: 226565-61-3
Synonyms: (3-chloro-2-methylphenyl)methanamine, 3-Chloro-2-methylbenzylamine, AC1MBWEI, AC1Q2FAH, SureCN1636099, 2-methyl-3-chlorobenzylamine, CTK0J6212, MolPort-000-153-236, ANW-55056, SBB017657, (3-chloro-2-methylphenyl)methylamine, AKOS006346457, AG-E-64890, Benzenemethanamine, 3-chloro-2-methyl-, AK-76875, KB-83908, FT-0676174, ST51041869, C-5495, I01-14286

Molecular Formula: C8H10ClNMolecular Weight: 155.624700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LESUPVCBJDWKJH-UHFFFAOYSA-N

• 4-Fluorodiphenylmethane
IUPAC Name: 1-benzyl-4-fluorobenzene | CAS Registry Number: 587-79-1
Synonyms: 1-Benzyl-4-fluorobenzene, 1-fluoro-4-(phenylmethyl)benzene, 1-fluoranyl-4-(phenylmethyl)benzene, 4-fluoro-1-benzylbenzene, AGN-PC-0DBF7X, SureCN576416, AC1LCP96, CTK1E8913, MolPort-000-155-575, ANW-42866, PC9325, SBB090447, AKOS006228401, Benzene, 1-fluoro-4-(phenylmethyl)-, AG-G-08247, 1-(cyclohexatrienylmethyl)-4-fluorobenzene, KB-105575, F0568, FT-0618529, C-5814

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

InChIKey: ADCBAIUWZPOIMC-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

• 5-Aminoisatoic Anhydride
IUPAC Name: 6-amino-1H-3,1-benzoxazine-2,4-dione | CAS Registry Number: 205688-52-4
Synonyms: 5-Aminoisatoic anhydride, 5-aminoisatoicanhydride, 169037-24-5, 6-amino-1H-benzo[d][1,3]oxazine-2,4-dione, 5-Aminoisatoic anhydride, tech., 6-amino-1H-3,1-benzoxazine-2,4-dione, ZINC02528157, AC1MC34G, 560278_ALDRICH, CTK0H3711, MolPort-000-151-100, ANW-55524, OR7052, AKOS006222981, AG-A-88763, AC-19391, AK-63304, FT-0676225, A13605, C-5523

Molecular Formula: C8H6N2O3Molecular Weight: 178.144840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: QEQDLBKVHJXPJA-UHFFFAOYSA-N

• 1-Benzoyl-2-thiobiuret
IUPAC Name: N-(carbamoylcarbamothioyl)benzamide | CAS Registry Number: 41835-24-9
Synonyms: SBB017804, amino-N-[(phenylcarbonylamino)thioxomethyl]amide, NSC142465, AC1MC3E1, 1-(benzoylcarbamothioyl)urea, CHEMBL220433, CTK4I5286, MolPort-000-151-364, N-(carbamoylcarbamothioyl)benzamide, ZINC00396260, AKOS015839023, N-(aminocarbonylcarbamothioyl)benzamide, MCULE-7922159552, NSC-142465, KB-85435, N-[(carbamoylamino)methanethioyl]benzamide, ST50410493, N-[(carbamoylamino)-sulfanylidenemethyl]benzamide, A825668, Benzamide,N-[[(aminothioxomethyl)amino]carbonyl]-

Molecular Formula: C9H9N3O2SMolecular Weight: 223.251660 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: XZWNNLCHQSTQJP-UHFFFAOYSA-N

• 4-Cyclohexyl-3-Thiosemicarbazide
IUPAC Name: 1-amino-3-cyclohexylthiourea | CAS Registry Number: 21198-18-5
Synonyms: Maybridge1_008732, N-Cyclohexylthiosemicarbazide, 4-Cyclohexylthiosemicarbazide, N-Cyclohexylhydrazinecarbothioamide, MLS001004310, NSC82337, NSC 82337, Semicarbazide, 4-cyclohexyl-3-thio-, Hydrazinecarbothioamide, N-cyclohexyl-, ALBB-002830, CID722813, STK408616, ZINC13683791, LS-76484, SMR000347795, SR-01000631240-1, T0509-2213

Molecular Formula: C7H15N3SMolecular Weight: 173.279100 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 1

InChIKey: LVEUHPMMNLURRJ-UHFFFAOYSA-N

• 3-Acetylbenzonitrile
IUPAC Name: 3-acetylbenzonitrile | CAS Registry Number: 6136-68-1
Synonyms: m-Cyanoacetophenone, 3'-Cyanoacetophenone, 292214_ALDRICH, EINECS 228-110-6, NSC210360, ZINC01745805, InChI=1/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H

Molecular Formula: C9H7NOMolecular Weight: 145.157980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SBCFGFDAZCTSRH-UHFFFAOYSA-N

• 2-Chloro-1,3-dimethylbenzene
IUPAC Name: 2-chloro-1,3-dimethylbenzene | CAS Registry Number: 6781-98-2
Synonyms: 2-Chloro-m-xylene, m-Xylene, 2-chloro-, Benzene, 2-chloro-1,3-dimethyl-, 276308_ALDRICH, EINECS 229-843-4, InChI=1/C8H9Cl/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H

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

InChIKey: VDXLAYAQGYCQEO-UHFFFAOYSA-N

• 2-Chlorophenylthiourea
IUPAC Name: (2-chlorophenyl)thiourea | CAS Registry Number: 5344-82-1
Synonyms: N-(2-Chlorophenyl)thiourea, (o-Chlorophenyl)thiourea, Thiourea, (2-chlorophenyl)-, 2-Chlorophenyl thiourea, RCRA waste no. P026, 1-(o-Chlorophenyl)thiourea, 1-(2-Chlorophenyl)thiourea, 2-CHLOROPHENYLTHIOUREA, RCRA waste number P026, WLN: SUYZMR BG, Urea, 1-(o-chlorophenyl)-2-thio-, (2-Chlorophenyl) thiourea, 1-(2-Chlorophenyl)-2-thiourea, Thiourea, 1-(2-chlorophenyl), HSDB 6041, 1-(o-Chlorophenyl)-2-thiourea, NSC 1165, Thiourea, N-(2-chlorophenyl)-, EINECS 226-291-6, NSC1165

Molecular Formula: C7H7ClN2SMolecular Weight: 186.661880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: YZUKKTCDYSIWKJ-UHFFFAOYSA-N

• 2,5-Dichlorophenyl Isothiocyanate
IUPAC Name: 1,4-dichloro-2-isothiocyanatobenzene | CAS Registry Number: 3386-42-3
Synonyms: 2,5-Dichlorophenyl isothiocyanate, 1,4-Dichloro-2-isothiocyanatobenzene, 474932_ALDRICH, ZINC00164766, CID137915, BBR-010736, TL80073709

Molecular Formula: C7H3Cl2NSMolecular Weight: 204.076420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JHTPBGFVWWSHDL-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-Chlorobenzyl isothiocyanate
IUPAC Name: 1-chloro-3-(isothiocyanatomethyl)benzene | CAS Registry Number: 3694-58-4
Synonyms: m-Chlorobenzyl isothiocyanate, ISOTHIOCYANIC ACID, m-CHLOROBENZYL ESTER, CID19412, BRN 2085926, Isothiocyanic acid, 3-chlorobenzyl ester, ZINC02038496, 1-Chloro-3-(isothiocyanatomethyl)benzene, Benzene, 1-chloro-3-(isothiocyanatomethyl)-, LS-86400, 4-12-00-02365 (Beilstein Handbook Reference), Benzene, 1-chloro-3-(isothiocyanatomethyl)- (9CI)

Molecular Formula: C8H6ClNSMolecular Weight: 183.657940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GGNLZOLEJMSOKU-UHFFFAOYSA-N

• 2-Bromo-4-methylbenzoic acid
IUPAC Name: 2-bromo-4-methylbenzonitrile | CAS Registry Number: 42872-73-1
Synonyms: 2-bromo-4-methylbenzonitrile, AQ-344/43100001, ZINC00337338, AC1LGGAD, AC1Q4RFK, ACMC-1ASD9, SureCN306406, KSC497O0B, CTK3J7700, MolPort-003-803-633, 2-bromo-4-methylbenzenecarbonitrile, ACN-P000686, ACN-S004608, ANW-29884, AR-1D9511, RW3565, SBB091940, WT1582, AKOS005259332, AG-F-52185

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

InChIKey: JWCMJJIZYDCGTE-UHFFFAOYSA-N

• 2-Furfuryl Isothiocyanate
IUPAC Name: 2-(isothiocyanatomethyl)furan | CAS Registry Number: 4650-60-6
Synonyms: Furfuryl isothiocyanate, 2-Furfuryl isothiocyanate, 2-(Isothiocyanatomethyl)furan, Furan, 2-(isothiocyanatomethyl)-, TOS-BB-1119, BB_SC-1799, CID78380, EINECS 225-079-0, STK397324, ZINC02146625

Molecular Formula: C6H5NOSMolecular Weight: 139.175000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ICXYINJACKJQQV-UHFFFAOYSA-N

• 3-Ethoxybenzaldehyde
IUPAC Name: 3-ethoxybenzaldehyde | CAS Registry Number: 22924-15-8
Synonyms: m-Ethoxybenzaldehyde, Benzaldehyde, 3-ethoxy-, Benzaldehyde, m-ethoxy-, 516317_ALDRICH, ALBB-001148, EINECS 245-333-4, SBB004072, ZINC00163359, InChI=1/C9H10O2/c1-2-11-9-5-3-4-8(6-9)7-10/h3-7H,2H2,1H

Molecular Formula: C9H10O2Molecular Weight: 150.174500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QZMGMXBYJZVAJN-UHFFFAOYSA-N

• 4-(1H-Pyrrol-1-yl)benzonitrile
IUPAC Name: 4-pyrrol-1-ylbenzonitrile | CAS Registry Number: 23351-07-7
Synonyms: Maybridge1_001756, ZERO/005182, NSC116795, AIDS126595, Benzonitrile, 4-(pyrrol-1-yl)-, AIDS-126595, ZINC00132347, NSC 116795

Molecular Formula: C11H8N2Molecular Weight: 168.194620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OKVSZRKKRHNDOL-UHFFFAOYSA-N

• 3,4-Dichlorophenylthiourae
IUPAC Name: (3,4-dichlorophenyl)thiourea | CAS Registry Number: 19250-09-0
Synonyms: Maybridge1_007486, MLS000861835, (3,4-Dichlorophenyl)thiourea, N-(3,4-Dichlorophenyl)thiourea, 1-(3,4-Dichlorophenyl)-2-thiourea, EINECS 242-919-1, CID710776, ZINC00101914, ZINC13659118, BBV-212397, FS000908, SMR000460619

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

InChIKey: CCNCITSJXCSXJY-UHFFFAOYSA-N

• 2-Bromo-6-chlorotoluene
IUPAC Name: 1-bromo-3-chloro-2-methylbenzene | CAS Registry Number: 62356-27-8
Synonyms: 1-Bromo-3-chloro-2-methylbenzene, Benzene, 1-bromo-3-chloro-2-methyl-, EINECS 263-520-9, ST5408533

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

InChIKey: DMARBQGIQKLIPM-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

• 4-Fluorostyrene
IUPAC Name: 1-ethenyl-4-fluorobenzene | CAS Registry Number: 405-99-2
Synonyms: Styrene, p-fluoro-, Ambap4326, Benzene, 1-ethenyl-4-fluoro-, 155799_ALDRICH, EINECS 206-975-0

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

InChIKey: JWVTWJNGILGLAT-UHFFFAOYSA-N

• 2-Bromo-3-Methylbenzonitrile
IUPAC Name: 2-bromo-3-methylbenzonitrile | CAS Registry Number: 263159-64-4
Synonyms: 2-Bromo-3-methylbenzonitrile, AG-E-82547, ACMC-20ao2w, AGN-PC-00PCK7, SureCN1233144, Benzonitrile,2-bromo-3-methyl-, CTK4F7617, MolPort-003-855-232, AKOS015834902, AS03710, AS04483, 2-bromanyl-3-methyl-benzenecarbonitrile, AK-64793, KB-93702, FT-0682148, W4977, A818378, I01-12620

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

InChIKey: RNHZLKDKPMISMY-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-(Benzyloxy) Phenylacetic Acid
IUPAC Name: 2-[4-(phenylmethoxy)phenyl]acetic acid | CAS Registry Number: 6547-53-1
Synonyms: Maybridge3_005180, 4-Benzyloxyphenyl acetic acid, 4-Benzyloxyphenylacetic acid, Oprea1_761522, (4-Benzyloxy)phenylacetic acid, 555398_ALDRICH, Benzeneacetic acid, 4-(phenylmethoxy)-, EINECS 229-463-9, NSC134561, IDI1_016567, ST5320202

Molecular Formula: C15H14O3Molecular Weight: 242.269860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XJHGAJLIKDAOPE-UHFFFAOYSA-N

• 2-Bromo-5-methylbenzoic acid
IUPAC Name: 2-bromo-5-methylbenzoic acid | CAS Registry Number: 6967-82-4
Synonyms: NSC20686, CID228080

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

InChIKey: ZXMISUUIYPFORW-UHFFFAOYSA-N


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