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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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• Heptyl Isothiocyanate
IUPAC Name: 1-isothiocyanatoheptane | CAS Registry Number: 4426-83-9
Synonyms: Heptyl isothiocyanate, n-Heptyl isothiocyanate, Heptane, 1-isothiocyanato-, EINECS 224-610-3, AI3-28262

Molecular Formula: C8H15NSMolecular Weight: 157.276400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LIPUQNPCPLDDBO-UHFFFAOYSA-N

• Hexadecyl Isothiocyanate
IUPAC Name: 1-isothiocyanatohexadecane | CAS Registry Number: 4426-87-3
Synonyms: Hexadecyl isothiocyanate, 1-Isothiocyanatohexadecane, CID138233

Molecular Formula: C17H33NSMolecular Weight: 283.515620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: KLULJVSOVKADRQ-UHFFFAOYSA-N

• Hexyl Isothiocyanate
IUPAC Name: 1-isothiocyanatohexane | CAS Registry Number: 4404-45-9
Synonyms: Hexyl isothiocyanate, Hexane, 1-isothiocyanato-, 1-Isothiocyanatohexane, n-Hexyl isothiocyanate, 1-Hexyl isothiocyanate, Isothiocyanic acid, hexyl ester, 475912_ALDRICH, CCRIS 7549, EINECS 224-549-2, ZINC02146665, TL 04666

Molecular Formula: C7H13NSMolecular Weight: 143.249820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WXYAXKKXIGHXDS-UHFFFAOYSA-N

• Isothiocyanic Acid 2-Chlorophenyl Ester
IUPAC Name: 1-chloro-2-isothiocyanatobenzene | CAS Registry Number: 2740-81-0
Synonyms: 2-Chlorophenyl isothiocyanate, 1-Chloro-2-isothiocyanatobenzene, 253774_ALDRICH, Benzene, 1-chloro-2-isothiocyanato-, SBB006587, ZINC00164692, AI3-16040

Molecular Formula: C7H4ClNSMolecular Weight: 169.631360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DASSPOJBUMBXLU-UHFFFAOYSA-N

• Isothiocyanic Acid 4-Chlorophenyl Ester (4-Chlorophenyl Isothiocyanate)
IUPAC Name: 1-chloro-4-isothiocyanatobenzene | CAS Registry Number: 2131-55-7
Synonyms: 4-Chlorophenyl isothiocyanate, p-Chlorophenyl isothiocyanate, WLN: SCNR DG, 4-Chlor-phenyl-isothiocyanat, Benzene, 1-chloro-4-isothiocyanato-, Sch 20350, 1-CHLORO-4-ISOTHIOCYANATOBENZENE, 253782_ALDRICH, Isothiocyanic acid, p-chlorophenyl ester, 26001_FLUKA, EINECS 218-358-3, Isothiocyanic acid, 4-chlorophenyl ester, NSC 20213, AIDS020131, 4-Chlor-phenyl-isothiocyanat [German], AIDS-020131, NSC20213, BRN 0471610, ZINC00167220, AI3-29697

Molecular Formula: C7H4ClNSMolecular Weight: 169.631360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MZZVFXMTZTVUFO-UHFFFAOYSA-N

• Isothiocyanic Acid Cyclohexyl Ester
IUPAC Name: isothiocyanatocyclohexane | CAS Registry Number: 1122-82-3
Synonyms: Cyclohexyl isothiocyanate, Isothiocyanocyclohexane, Cyclohexane, isothiocyanato-, Cyclohexyl-isothiocyanat, WLN: L6TJ ANCS, ISOTHIOCYANATOCYCLOHEXANE, C105406_ALDRICH, Isothiocyanic acid, cyclohexyl ester, Cyclohexyl-isothiocyanat [German], EINECS 214-361-9, ZERO/008328, NSC 60129, Cyclohexyl isothiocyanate, isothiocyanato-, Cyclohexyl-isothiocyanat [German], NSC60129, ZINC00160592, LS-86409, InChI=1/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H

Molecular Formula: C7H11NSMolecular Weight: 141.233940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MZSJGCPBOVTKHR-UHFFFAOYSA-N

• Isothiocyanic Acid Dodecyl Ester
IUPAC Name: 1-isothiocyanatododecane | CAS Registry Number: 1072-32-8
Synonyms: Dodecyl isothiocyanate, 1-Isothiocyanatododecane, 1-Dodecyl isothiocyanate, CCRIS 7537

Molecular Formula: C13H25NSMolecular Weight: 227.409300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LPVQVNLMFKGGCH-UHFFFAOYSA-N

• M-Chloroiodobenzene
IUPAC Name: 1-chloro-3-iodobenzene | CAS Registry Number: 625-99-0
Synonyms: m-Chloroiodobenzene, 3-Iodochlorobenzene, 1-Chloro-3-iodobenzene, m-Chlorophenyl iodide, Benzene, 1-chloro-3-iodo-, 3-CHLOROIODOBENZENE, 3-Chloro-1-iodobenzene, nchembio.87-comp56, 1-Chloro-3-iodo-benzene, 242578_ALDRICH, NSC32861, EINECS 210-920-6, NSC 32861, TL 00516, AI3-22030, TL8004201, InChI=1/C6H4ClI/c7-5-2-1-3-6(8)4-5/h1-4

Molecular Formula: C6H4ClIMolecular Weight: 238.453430 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: JMLWXCJXOYDXRN-UHFFFAOYSA-N

• Mesityl Chloride
IUPAC Name: 2-chloro-1,3,5-trimethylbenzene | CAS Registry Number: 1667-04-5
Synonyms: Chloromesitylene, 2-Chloromesitylene, Mesitylene, 2-chloro-, 2,4,6-Trimethylchlorobenzene, Benzene, 2-chloro-1,3,5-trimethyl-, 2-CHLORO-1,3,5-TRIMETHYLBENZENE, 2,4,6-Trimethylmonochlorobenzene, 1-Chloro-2,4,6-trimethylbenzene, NSC139128

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

InChIKey: WDZACGWEPQLKOM-UHFFFAOYSA-N

• Meta-Aminobenzanilide
IUPAC Name: N-(3-aminophenyl)benzamide | CAS Registry Number: 16091-26-2
Synonyms: 3'-Aminobenzanilide, Oprea1_825760, AIDS019257, ARONIS014452, Benzamide, N-(3-aminophenyl)-, ZERO/005857, AIDS-019257, CID72896, EINECS 240-254-1, ZINC00123066

Molecular Formula: C13H12N2OMolecular Weight: 212.247180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IRFCTHNJIWUUJZ-UHFFFAOYSA-N

• Methanone, (2,5-dichlorophenyl)phenyl-
IUPAC Name: (2,5-dichlorophenyl)-phenylmethanone | CAS Registry Number: 16611-67-9
Synonyms: 2,5-Dichlorobenzophenone, (2,5-dichlorophenyl)(phenyl)methanone, SBB068331, PubChem7484, AC1L9XYF, SureCN230930, CTK0H4514, 2,5-dichlorophenyl phenyl ketone, MolPort-000-153-950, (2,5-dichlorophenyl)phenylmethanone, ANW-74356, WTI-10736, ZINC02571857, (2,5-dichlorophenyl)-phenylmethanone, AKOS009338708, AG-E-15674, (2,5-dichloro-phenyl)-phenyl-methanone, (2,5-dichlorophenyl)-(phenyl)methanone, methanone, (2,5-dichlorophenyl)phenyl-, AK-59936

Molecular Formula: C13H8Cl2OMolecular Weight: 251.108020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FAVKIHMGRWRACA-UHFFFAOYSA-N

• N,N - Dibutyl Thiourea
IUPAC Name: 1,3-dibutylthiourea | CAS Registry Number: 109-46-6
Synonyms: Pennzone B, Dibutylthiourea, Thiate U, 1,3-Dibutylthiourea, Thiourea, N,N'-dibutyl-, N,N'-DIBUTYLTHIOUREA, 1,3-Dibutyl-2-thiourea, Urea, 1,3-dibutyl-2-thio-, di-tert-Butyl thiourea, 1,3-Di-N-butyl-2-thiourea, Maybridge1_007237, USAF EK-2138, N,N'-di-n-Butylthiourea, D49598_ALDRICH, Urea, 1,3-di-N-butyl-2-thio-, Urea,1,3-dibutyl-2-thio-, WLN: SUYM4 & M4, NSC 3735, EINECS 203-674-6, NSC3735

Molecular Formula: C9H20N2SMolecular Weight: 188.333500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: KFFQABQEJATQAT-UHFFFAOYSA-N

• N,N'-Di-Tert-Butylethylenediamine
IUPAC Name: N,N'-ditert-butylethane-1,2-diamine | CAS Registry Number: 4062-60-6
Synonyms: N,N'-di-t-Butylethylenediamine, N,N'-Di-tert-butylethylenediamine, N,N'-Di-tert-butyl-ethylenediamine, 447005_ALDRICH, 1,2-Bis(tert-butylamino)ethane, EINECS 223-769-6, N,N'-Bis(tert-butyl)ethylenediamine, AIDS060558, AIDS060708, AR 81242, AIDS-060558, AIDS-060708, CID77680, N,N'-DI-t-BUTYL ETHYLENE DIAMINE, 4495-50-5 (DIHYDROCHLORIDE), LS-65350, LT03382601, N,N'-Bis(1,1-dimethylethyl)-1,2-ethanediamine, 1,2-Ethanediamine, N,N'-bis(1,1-dimethylethyl)-, 1,2-Ethanediamine, N1,N2-bis(1,1-dimethylethyl)-

Molecular Formula: C10H24N2Molecular Weight: 172.310960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: KGHYGBGIWLNFAV-UHFFFAOYSA-N

• N,N'-Dimorpholinomethane
IUPAC Name: 4-(morpholin-4-ylmethyl)morpholine | CAS Registry Number: 5625-90-1
Synonyms: Dimorpholinomethane, Bismorpholino methane, Bis(morpholino-)methan, 4,4-Methylenedimorpholine, 4,4'-Methylenedimorpholine, N,N'-Methylenebismorpholine, Oprea1_332757, Bis(morpholino-)methan [German], Morpholine, 4,4'-methylenebis-, EINECS 227-062-3, CID21839, MORPHOLINE, 4,4'-METHYLENEDI-, BRN 0111886, ZINC19324145, AI3-62944, LS-93136, STT-00259794, 4-27-00-00203 (Beilstein Handbook Reference)

Molecular Formula: C9H18N2O2Molecular Weight: 186.251420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MIFZZKZNMWTHJK-UHFFFAOYSA-N

• N,N-Dimethyl-4,4'-azodianiline
IUPAC Name: 4-(4-aminophenyl)diazenyl-N,N-dimethylaniline | CAS Registry Number: 539-17-3
Synonyms: 4'-Amino-dab, ADAB, Disperse Black 3, Acetile Diazo Black N, Acetile Diazo Black R, p,p'-Dimapa-aniline, Supracet Diazo Black A, p,p'-DMPA-aniline, Diazo Nero Microsetile G, Microsetile Diazo Black G, Meisei Acemyl Diazo Black B, Meisei Teryl Diazo Black CR, p-Aminobenzeneazodimethylaniline, C.I. DISPERSE BLACK 3, 4-Amino-4'-dimethylaminobenzene, Interchem Acetate Developed Black, 379298_ALDRICH, 07730_FLUKA, EINECS 208-712-5, N,n-dimethyl-4,4'-azodianiline

Molecular Formula: C14H16N4Molecular Weight: 240.303640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BVRIUXYMUSKBHG-UHFFFAOYSA-N

• N-(10-Bromodecyl)phthalimide
IUPAC Name: 2-(10-bromodecyl)isoindole-1,3-dione | CAS Registry Number: 24566-80-1
Synonyms: 2-(10-bromodecyl)isoindole-1,3-dione, N-(10-Bromodec-1-yl)phthalimide, SBB017847, N-[10-Bromodecyl]phthalimide, ZINC02528156, AC1LC5TF, SureCN875645, CTK1A1374, MolPort-000-151-868, AKOS015836190, KB-84111, 2-(10-bromanyldecyl)isoindole-1,3-dione, 2-(10-Bromodec-1-yl)isoindolin-1,3-dione, FT-0629066, ST51041833, 2-(10-bromodecyl)benzo[c]azoline-1,3-dione, 2-(10-bromodecyl)benzo[c]azolidine-1,3-dione, 2-(10-Bromodecyl)-1H-isoindole-1,3(2H)-dione, A817371, 1H-Isoindole-1,3(2H)-dione, 2-(10-bromodecyl)-

Molecular Formula: C18H24BrNO2Molecular Weight: 366.292660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LJFIOTMXPRSHSB-UHFFFAOYSA-N

• N-(2-Hydroxyethyl)-N'-2-Propen-1-Yl-Thiourea
IUPAC Name: 1-(2-hydroxyethyl)-3-prop-2-enylthiourea | CAS Registry Number: 105-81-7
Synonyms: Maybridge1_007075, 1-Allyl-3-(2-hydroxyethyl)-2-thiourea, MLS000736772, NSC70444, EINECS 203-334-7, 1-Allyl-3-(2-hydroxyethyl)thiourea, MolPort-001-495-605, NSC 70444, BRN 1766401, N-Allyl-N'-(beta-hydroxyethyl)thiourea, ZINC13597232, N-(2-Hydroxyethyl)-N'-allylthiourea, Urea, 1-allyl-3-(2-hydroxyethyl)-2-thio-, 1-Allyl-3-(2-hydroxyethyl) thiourea, AI3-51115, CID2735273, N-(2-Hydroxyethyl)-N'-2-propenylthiourea, Thiourea, N-(2-hydroxyethyl)-N'-2-propenyl-, N-Allyl-N'-(beta-hydroxyethyl) thiourea, SMR000528319

Molecular Formula: C6H12N2OSMolecular Weight: 160.237280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 1

InChIKey: VUVPNTYTOUGMDG-UHFFFAOYSA-N

• N-(4-Bromobutyl)phthalimide
IUPAC Name: 2-(4-bromobutyl)isoindole-1,3-dione | CAS Registry Number: 5394-18-3
Synonyms: NSC575, 100919_ALDRICH, NSC 575, CID93575, EINECS 226-401-2, ZINC01596349, 1H-Isoindole-1,3(2H)-dione, 2-(4-bromobutyl)-, T0510-5953

Molecular Formula: C12H12BrNO2Molecular Weight: 282.133180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UXFWTIGUWHJKDD-UHFFFAOYSA-N

• N-(5-Bromopentyl)phthalimide
IUPAC Name: 2-(5-bromopentyl)isoindole-1,3-dione | CAS Registry Number: 954-81-4
Synonyms: Ambap5940, NCIOpen2_004666, N-(5-Bromopentyl)-phthalimide, NSC83526, ZINC01730982, FS000803, 2-(5-Bromopentyl)-1H-isoindole-1,3(2H)-dione

Molecular Formula: C13H14BrNO2Molecular Weight: 296.159760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QKVHAKICMNABGB-UHFFFAOYSA-N

• N-(6-Bromohexyl)phthalimide
IUPAC Name: 2-(6-bromohexyl)isoindole-1,3-dione | CAS Registry Number: 24566-79-8
Synonyms: N-(6-Bromohexyl)-phthalimide, NSC28852, ZINC01646695, FS000802, 2-(6-Bromohexyl)-1H-isoindole-1,3(2H)-dione

Molecular Formula: C14H16BrNO2Molecular Weight: 310.186340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OAZFTIPKNPTDIO-UHFFFAOYSA-N

• N-(8-Bromooctyl)phthalimide
IUPAC Name: 2-(8-bromooctyl)isoindole-1,3-dione | CAS Registry Number: 17702-83-9
Synonyms: NCIOpen2_008514, NSC76815, ZINC01708112, 2-(8-Bromooctyl)-1H-isoindole-1,3(2H)-dione

Molecular Formula: C16H20BrNO2Molecular Weight: 338.239500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LAMUQORCSIHVMC-UHFFFAOYSA-N

• N-(Bromomethyl)phthalimide
IUPAC Name: 2-(bromomethyl)isoindole-1,3-dione | CAS Registry Number: 5332-26-3
Synonyms: Phthalimidomethyl bromide, Phthalimide, N-(bromomethyl)-, N-BROMOMETHYLPHTHALIMIDE, 252611_ALDRICH, 17629_FLUKA, NSC3997, NSC 3997, EINECS 226-239-2, ZINC01672938, 1H-Isoindole-1,3(2H)-dione, 2-(bromomethyl)-, AI3-28934, ST5409044, 2-(Bromomethyl)-1H-isoindole-1,3(2H)-dione

Molecular Formula: C9H6BrNO2Molecular Weight: 240.053440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UUSLLECLCKTJQF-UHFFFAOYSA-N

• N-Benzyl Anthranilic Acid
IUPAC Name: 2-(phenylmethylamino)benzoic acid | CAS Registry Number: 6622-55-5
Synonyms: Anthranilic acid, N-benzyl-, Oprea1_473239, Oprea1_577333, 590037_ALDRICH, Anthranilic acid, polymer-bound, Benzoic acid, 2-[(phenylmethyl)amino]-, CID81095, NSC54454, NSC54640, EINECS 229-572-1, 2-((Phenylmethyl)amino)benzoic acid, ST5411275

Molecular Formula: C14H13NO2Molecular Weight: 227.258520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JGQKORRBYIBYOF-UHFFFAOYSA-N

• N-Benzyl Maleimide
IUPAC Name: 1-(phenylmethyl)pyrrole-2,5-dione | CAS Registry Number: 1631-26-1
Synonyms: N-Benzylmaleimide, N-BENZYL MALEIMIDE, Maleimide-Related Compound 3, MLS001074872, 408018_ALDRICH, 1-Benzyl-1H-pyrrole-2,5-dione, CID74204, NSC12802, EINECS 216-631-1, SBB003693, ZINC00096688, 1H-Pyrrole-2,5-dione, 1-(phenylmethyl)-, SMR000568402

Molecular Formula: C11H9NO2Molecular Weight: 187.194660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MKRBAPNEJMFMHU-UHFFFAOYSA-N

• N-Benzylisatoic anhydride
IUPAC Name: 1-benzyl-3,1-benzoxazine-2,4-dione | CAS Registry Number: 35710-05-5
Synonyms: 1-benzyl-3,1-benzoxazine-2,4-dione, ST51041848, 1-Benzyl-2H-3,1-benzoxazine-2,4(1H)-dione, ZINC00403338, AC1LAUO4, 514373_ALDRICH, CHEMBL2146666, 17344_FLUKA, CTK4H5215, MolPort-000-151-399, AKOS002751848, 1-benzylbenzo[d]1,3-oxazine-2,4-dione, KB-84976, FT-0639274, I14-27434, 2H-3,1-Benzoxazine-2,4(1H)-dione,1-(phenylmethyl)-

Molecular Formula: C15H11NO3Molecular Weight: 253.252740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XZNZVRHSHRYPDL-UHFFFAOYSA-N

• N-Carbethoxyphthalimide
IUPAC Name: ethyl 1,3-dioxoisoindole-2-carboxylate | CAS Registry Number: 22509-74-6
Synonyms: N-CARBETHOXYPHTHALIMIDE, N-Carboethoxyphthalimide, Ethyl N-phthaloylcarbamate, Phthalimide-N-carbethoxy, N-(Ethoxycarbonyl)phthalimide, N-Ethoxycarbonylphthalimide, C5459_ALDRICH, Ethyl phthalimide-N-carboxylate, EINECS 245-048-5, N-Karbetoksi-ftalimid [Yugoslavian], NSC 76576, CID31187, NSC76576, BRN 0196340, SBB007660, ZINC00155869, 2-Isoindolinecarboxylic acid, 1,3-dioxo-, ethyl ester, AI3-52139, FR-0063, Ethyl 1,3-dioxo-2-isoindolinecarboxylate

Molecular Formula: C11H9NO4Molecular Weight: 219.193460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: VRHAQNTWKSVEEC-UHFFFAOYSA-N

• N-Carboxyethylrhodanine
IUPAC Name: 3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid | CAS Registry Number: 7025-19-6
Synonyms: Rodanin-3-propionic acid, Rhodanine-3-propionic acid, Oprea1_561305, Oprea1_635953, EINECS 230-307-7, ALBB-005191, NSC97091, BRN 1075880, SBB009645, 4-Oxo-2-thioxo-3-thiazolidinepropionic acid, 4-Oxo-2-thioxothiazolidine-3-propionic acid, BAS 00567410, 3-Thiazolidinepropanoic acid, 4-oxo-2-thioxo-, 3-Thiazolidinepropionic acid, 4-oxo-2-thioxo-, LS-151534, 3-(4-Oxo-2-thioxo-thiazolidin-3-yl)-propionic acid, 3-(4-Oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid

Molecular Formula: C6H7NO3S2Molecular Weight: 205.254680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SWAHCTPCIUXXTQ-UHFFFAOYSA-N

• N-Carboxymethylrhodanine
IUPAC Name: 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid | CAS Registry Number: 5718-83-2
Synonyms: 3-Rhodanineacetic acid, Rhodanine-N-acetic acid, N-(Carboxymethyl)rhodanine, 3-(Carboxymethyl)rhodanine, nchembio718-comp12, Rhodanine-3-acetic acid, R1102_ALDRICH, Oprea1_519214, MLS001074868, N-CARBOXYMETHYLRHODANINE, 347558_ALDRICH, NSC40450, 75955_FLUKA, Rhodanine-Related Derivatives 19, 3-Thiazolidineacetic acid, 4-oxo-2-thioxo-, AIDS124612, 4-Oxo-2-thioxo-3-thiazolidineacetic acid, AIDS-124612, EINECS 227-220-1, NSC 40450

Molecular Formula: C5H5NO3S2Molecular Weight: 191.228100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JGRMXPSUZIYDRR-UHFFFAOYSA-N

• N-Ethyl Pyrrole
IUPAC Name: 1-ethylpyrrole | CAS Registry Number: 617-92-5
Synonyms: 1-Ethylpyrrole, N-Ethylpyrrole, Pyrrole, 1-ethyl-, 1H-Pyrrole, 1-ethyl-, NSC6756, ZINC01866964, TL8003950, 92933-61-4

Molecular Formula: C6H9NMolecular Weight: 95.142360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VPUAYOJTHRDUTK-UHFFFAOYSA-N

• N-Methyl-2-Acetylpyrrole
IUPAC Name: 1-(1-methylpyrrol-2-yl)ethanone | CAS Registry Number: 932-16-1
Synonyms: 2-Acetyl-1-methylpyrrole, 1-Methyl-2-acetylpyrrole, 1-(1-Methylpyrrol-2-yl)ethanone, FEMA No. 3184, W318418_ALDRICH, 1-(1-Methyl-1H-pyrrol-2-yl)ethanone, 160865_ALDRICH, Methyl 1-methylpyrrol-2-yl ketone, EINECS 213-247-6, Ketone, methyl 1-methylpyrrol-2-yl, NSC 87239, NSC87239, ETHANONE, 1-(1-METHYL-1H-PYRROL-2-YL)-, ZINC01561741, LS-180657, InChI=1/C7H9NO/c1-6(9)7-4-3-5-8(7)2/h3-5H,1-2H

Molecular Formula: C7H9NOMolecular Weight: 123.152460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NZFLWVDXYUGFAV-UHFFFAOYSA-N

• O-Chloro-Benzamide
IUPAC Name: 2-chlorobenzamide | CAS Registry Number: 609-66-5
Synonyms: o-Chlorobenzamide, 2-Chlorobenzamide, Benzamide, o-chloro-, Benzamide, 2-chloro-, Benzamide, o-chloro- (8CI), 216062_ALDRICH, EINECS 210-195-6, AIDS018398, NSC 406895, AIDS-018398, BRN 0508510, NSC406895, SBB004023, ZINC00152952, AI3-09664, LS-26020, 4-09-00-00963 (Beilstein Handbook Reference), AJ-333/25022002, InChI=1/C7H6ClNO/c8-6-4-2-1-3-5(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: RBGDLYUEXLWQBZ-UHFFFAOYSA-N

• O-Fluorobenzyl Chloride
IUPAC Name: 1-(chloromethyl)-2-fluorobenzene | CAS Registry Number: 345-35-7
Synonyms: 2-Fluorobenzyl chloride, O-FLUOROBENZYL CHLORIDE, alpha-Chloro-2-fluorotoluene, alpha-Chloro-o-fluorotoluene, F7601_ALDRICH, NCIOpen2_001365, Benzene, 1-(chloromethyl)-2-fluoro-, .alpha.-Chloro-o-fluorotoluene, 1-(Chloromethyl)-2-fluorobenzene, 1-Chloromethyl-2-fluorobenzene, .alpha.-Chloro-2-fluorotoluene, 46810_FLUKA, Toluene, alpha-chloro-o-fluoro-, NSC88295, Toluene, .alpha.-chloro-o-fluoro-, EINECS 206-460-0, NSC 88295, ZINC00164432, F148, ST5214000

Molecular Formula: C7H6ClFMolecular Weight: 144.573943 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MOBRMRJUKNQBMY-UHFFFAOYSA-N

• P-Decyl-a,a,a-trifluoroacetophenone
IUPAC Name: 1-(4-decylphenyl)-2,2,2-trifluoroethanone | CAS Registry Number: 100444-41-5
Synonyms: CID145364, 1-(4-Decylphenyl)-2,2,2-trifluoroethanone, p-Decyl-alpha,alpha,alpha-trifluoroacetophenone, p-Decyl-.alpha.-.alpha.-.alpha.-trifluoroacetophenone

Molecular Formula: C18H25F3OMolecular Weight: 314.385710 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: GJNWUVBDBVUZKP-UHFFFAOYSA-N

• tert-Butyl isothiocyanate
IUPAC Name: 2-isothiocyanato-2-methylpropane | CAS Registry Number: 590-42-1
Synonyms: tert.-Butyl Isothiocyanate, T-BUTYLISOTHIOCYANATE, 2-Isothiocyanato-2-methylpropane, Propane, 2-isothiocyanato-2-methyl-, 251852_ALDRICH, EINECS 209-682-6, ZINC02034614, TL80073711, InChI=1/C5H9NS/c1-5(2,3)6-4-7/h1-3H

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

InChIKey: ZFWFRTVIIMTOLY-UHFFFAOYSA-N

• tert-Butylsulfonylacetonitrile
IUPAC Name: 2-tert-butylsulfonylacetonitrile | CAS Registry Number: 36635-64-0
Synonyms: 2-tert-butylsulfonylacetonitrile, 81536-18-7, 2-(tert-Butylsulfonyl)acetonitrile, ST50824810, 2-tert-butylsulfonylethanenitrile, 2-[(tert-butyl)sulfonyl]ethanenitrile, ZINC00096047, AC1MCTIM, ACMC-1AILQ, Maybridge1_004678, CTK3F0931, HMS554M14, MolPort-000-144-568, 2-(tert-butylsulphonyl)acetonitrile, CCG-53929, SBB087541, AKOS005104766, AG-A-33050, MCULE-6058913477, RP02190

Molecular Formula: C6H11NO2SMolecular Weight: 161.222040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZRCYCIRRPIYJOU-UHFFFAOYSA-N

• Thiocarbanilide
IUPAC Name: 1,3-di(phenyl)thiourea | CAS Registry Number: 102-08-9
Synonyms: Diphenylthiourea, Sulfocarbanilide, Stabilisator C, Rhenocure CA, Vulkacit CA, Carbanilide, thio-, sym-Diphenylthiourea, Nocceler C, Diphenylsulfourea, 1,3-Diphenylthiourea, s-Diphenylthiocarbamide, Thiourea, s-diphenyl-, N,N'-DIPHENYLTHIOUREA, 1,3-Diphenyl-2-thiourea, Thiourea, N,N'-diphenyl-, Thiokarbanilid [Czech], Diphenylthiourea (VAN), N,N'-Diphenylthiocarbamide, Thiourea, sym-diphenyl-, USAF EK-245

Molecular Formula: C13H12N2SMolecular Weight: 228.312780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: FCSHMCFRCYZTRQ-UHFFFAOYSA-N

• Vanillin Acetate
IUPAC Name: (4-formyl-2-methoxyphenyl) acetate | CAS Registry Number: 881-68-5
Synonyms: Vanillin acetate, Acetovanillin, Acetylvanillin, Vanillin, acetate, O-Acetylvanillin, 4-O-Acetylvanillin, Vanillin, acetate (8CI), 4-Formyl-2-methoxyphenyl acetate, 4-Acetoxy-3-methoxybenzaldehyde, W310808_ALDRICH, 4-Formyl-2-methoxyphenol acetate, FEMA No. 3108, 258601_ALDRICH, NSC8499, ALBB-001408, NSC 8499, NSC25863, EINECS 212-920-1, 4-(Acetyloxy)-3-methoxybenzaldehyde, NSC 25863

Molecular Formula: C10H10O4Molecular Weight: 194.184000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: PZSJOBKRSVRODF-UHFFFAOYSA-N

• 4-Chloro-2-methylbenzoic acid
IUPAC Name: 4-chloro-2-methylbenzoic acid | CAS Registry Number: 7499-07-2
Synonyms: 4-Chloro-o-toluic acid, o-Toluic acid, 4-chloro-, 634034_ALDRICH, Benzoic acid, 4-chloro-2-methyl-, NSC407521, TL 00910

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

InChIKey: XXFKOBGFMUIWDH-UHFFFAOYSA-N

• 2',5'-Dimethoxy acetophenone
IUPAC Name: 1-(2,5-dimethoxyphenyl)ethanone | CAS Registry Number: 1201-38-3
Synonyms: 2',5'-Dimethoxyacetophenone, 2,5-Dimethoxyacetophenone, Acetophenone, 2',5'-dimethoxy-, Ethanone, 1-(2,5-dimethoxyphenyl)-, D129607_ALDRICH, D2056_SIGMA, 2-Acetyl-1,4-dimethoxybenzene, NSC62094, CID70991, EINECS 214-858-0, NSC 62094, ZINC00164090, Acetophenone, 2',5'-dimethoxy- (8CI), ST5214448, InChI=1/C10H12O3/c1-7(11)9-6-8(12-2)4-5-10(9)13-3/h4-6H,1-3H

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

InChIKey: FAXUIYJKGGUCBO-UHFFFAOYSA-N

• 2,5-Dimethoxy Benzonitrile
IUPAC Name: 2,5-dimethoxybenzonitrile | CAS Registry Number: 5312-97-0
Synonyms: 2,5-Dimethoxybenzonitrile, 594776_ALDRICH, NSC27019, CID79200, EINECS 226-169-2, ZINC00157060, BBV-2064314, TL8003490

Molecular Formula: C9H9NO2Molecular Weight: 163.173260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HWAMEJIMXIXLIH-UHFFFAOYSA-N

• 2,6-Dimethylphenyl isothiocyanate
IUPAC Name: 2-isothiocyanato-1,3-dimethylbenzene | CAS Registry Number: 19241-16-8
Synonyms: 2,6-Xylyl isothiocyanate, 476439_ALDRICH, EINECS 242-906-0, NSC172978, ZINC00164729, Benzene, 2-isothiocyanato-1,3-dimethyl-, SB 01642

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

InChIKey: UULUECCNPPJFBU-UHFFFAOYSA-N

• 4-Fluorophenylacetonitrile
IUPAC Name: 2-(4-fluorophenyl)acetonitrile | CAS Registry Number: 459-22-3
Synonyms: p-Fluorobenzyl cyanide, 4-Fluorobenzyl cyanide, 4-Fluorobenzylcyanide, 4-Fluorobenzeneacetonitrile, Benzeneacetonitrile, 4-fluoro-, p-Fluorophenylacetonitrile, Acetonitrile, (p-fluorophenyl)-, (p-Fluorophenyl)acetonitrile, 102407_ALDRICH, EINECS 207-286-8, NSC 60739, NSC60739, BRN 1907764, ZINC00388043, LS-13270, 4-09-00-01673 (Beilstein Handbook Reference), T5365046

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

InChIKey: JHQBLYITVCBGTO-UHFFFAOYSA-N

• 4-Ethyl Benzaldehyde
IUPAC Name: 4-ethylbenzaldehyde | CAS Registry Number: 4748-78-1
Synonyms: p-Ethylbenzaldehyde, Benzaldehyde, 4-ethyl-, Ethyl benzaldehyde, Benzaldehyde, ethyl-, 4-ETHYLBENZALDEHYDE, Ethylbenzaldehyde, p-, ETHYLBENZALDEHYDE, Benzaldehyde, P-ethyl-, BENZALDEHYDE,4-ETHYL, W375608_ALDRICH, FEMA No. 3756, 233633_ALDRICH, EINECS 225-268-8, ZINC02003388, ST5213337, InChI=1/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H, 53951-50-1

Molecular Formula: C9H10OMolecular Weight: 134.175100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QNGNSVIICDLXHT-UHFFFAOYSA-N

• 2-Bromo-1,3-dimethylbenzene
IUPAC Name: 2-bromo-1,3-dimethylbenzene | CAS Registry Number: 576-22-7
Synonyms: 2-Bromo-m-xylene, m-Xylene, 2-bromo-, 2,6-Dimethylbromobenzene, 2,6-Dimethylphenyl bromide, Benzene, 2-bromo-1,3-dimethyl-, 1-Bromo-2,6-dimethylbenzene, 115851_ALDRICH, 18745_FLUKA, EINECS 209-397-7, BRN 1929780, LS-29195, ST5406183, TL8003703, 4-05-00-00945 (Beilstein Handbook Reference), InChI=1/C8H9Br/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H

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

InChIKey: MYMYVYZLMUEVED-UHFFFAOYSA-N

• 2-Chloro-5-Nitroanisole
IUPAC Name: 1-chloro-2-methoxy-4-nitrobenzene | CAS Registry Number: 1009-36-5
Synonyms: 2-Chloro-5-nitroanisole, 2-Methoxy-4-nitrochlorobenzene, 4-Chloro-3-methoxynitrobenzene, ZINC02004522, CID70519, EINECS 213-768-9, Benzene, 1-chloro-2-methoxy-4-nitro-, TL800742058

Molecular Formula: C7H6ClNO3Molecular Weight: 187.580440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: JXIJUAWSDBACEB-UHFFFAOYSA-N

• 4,4'-Diacetylbiphenyl
IUPAC Name: 1-[4-(4-acetylphenyl)cyclohexyl]ethanone | CAS Registry Number: 787-69-9
Synonyms: 4,4'-Diacetyl biphenyl, ZINC00056557, CID767785

Molecular Formula: C16H20O2Molecular Weight: 244.328800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JUUBRWDMANTQBT-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-Chlorobenzhydrazide
IUPAC Name: 2-chlorobenzohydrazide | CAS Registry Number: 5814-05-1
Synonyms: 2-Chlorobenzohydrazide, 2ClPhCON2, 2-Chlorobenzoic hydrazide, 2-Chlorobenzoic acid hydrazide, 259993_ALDRICH, ARONIS003518, 2-Chlorobenzoic acid, hydrazide, AIDS009028, AIDS-009028, EINECS 227-380-2, NSC522531, SBB003851, ZINC00152501, AE-842/31980017

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

InChIKey: KPPNLSKVTKSSTG-UHFFFAOYSA-N

• 2,4-Dichloro Fluoro Benzene
IUPAC Name: 2,4-dichloro-1-fluorobenzene | CAS Registry Number: 1435-48-9
Synonyms: 1,3-Dichloro-4-fluorobenzene, 2,4-Dichloro-1-fluorobenzene, Benzene,2,4-dichloro-1-fluoro-, 309885_ALDRICH, ZINC00157878, Benzene, 2,4-dichloro-1-fluoro-, CID123112, ST5405403

Molecular Formula: C6H3Cl2FMolecular Weight: 164.992423 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BDJZCCWUSOZUQG-UHFFFAOYSA-N

• 3,5-Dimethoxyphenylacetonitrile
IUPAC Name: 2-(3,5-dimethoxyphenyl)acetonitrile | CAS Registry Number: 13388-75-5
Synonyms: (3,5-Dimethoxyphenyl)acetonitrile, 3,4-Dimethoxyphenylacetonitrile, 591149_ALDRICH, NSC245126, CID139445, SBB005899, ZINC00400318, TL8000012, AA-504/07219022, 93-17-4

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UUNRWZQWCNTSCV-UHFFFAOYSA-N


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