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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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• Acetic Acid 2-Methoxyphenyl Ester
IUPAC Name: (2-methoxyphenyl) acetate | CAS Registry Number: 613-70-7
Synonyms: Guaiacyl acetate, Guaiacol acetate, o-Acetoxyanisole, o-Anisyl acetate, Eucol, Acetyl guaiacol, O-Acetylguaiacol, 2-Methoxyphenyl acetate, Phenol, 2-methoxy-, acetate, Eucol (VAN), Phenol, o-methoxy-, acetate, 1-Acetoxy-2-methoxybenzene, o-METHOXYPHENYL ACETATE, W368709_ALDRICH, FEMA No. 3687, 335177_ALDRICH, NSC3831, NSC 3831, EINECS 210-350-8, ZINC00389574

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BHJHPYFAYGAPLS-UHFFFAOYSA-N

• Adipic Dihydrazide
IUPAC Name: hexanedihydrazide | CAS Registry Number: 1071-93-8
Synonyms: Adipic dihydrazide, Adipohydrazide, Adipic acid dihydrazide, Adip dihydr, Adipyl hydrazide, Hexanedihydrazide, Adipic acid, dihydrazide, WLN: ZMV4VMZ, Hexanedioic acid, dihydrazide, Hexanedioic acid dihydrazide, A0638_SIGMA, 02191_FLUKA, Adipic acid, dihydrazide (8CI), NSC3378, AIDS009118, AIDS-009118, NSC 3378, NSC29542, EINECS 213-999-5, NSC 29542

Molecular Formula: C6H14N4O2Molecular Weight: 174.200960 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: IBVAQQYNSHJXBV-UHFFFAOYSA-N

• Allyl Isothiocyanate
IUPAC Name: 3-isothiocyanatoprop-1-ene | CAS Registry Number: 57-06-7
Synonyms: Allylsenevol, ALLYL ISOTHIOCYANATE, Allylsevenolum, Allylsenfoel, Redskin, Senfoel, Oil Of mustard, Oleum sinapis, Allyspol, Carbospol, Allyl sevenolum, Allyl mustard oil, AITC, Volatile mustard oil, Allyl isosulfocyanate, Senf oel, Synthetic mustard oil, Oils, mustard, Allyspol 75EC, Allyl thioisocyanate

Molecular Formula: C4H5NSMolecular Weight: 99.154200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZOJBYZNEUISWFT-UHFFFAOYSA-N

• Anthranilic Acid Butyl Ester
IUPAC Name: butyl 2-aminobenzoate | CAS Registry Number: 7756-96-9
Synonyms: BUTYL ANTHRANILATE, Butyl 2-aminobenzoate, n-Butyl anthranilate, n-Butyl o-aminobenzoate, Butyl O-aminobenzoate, Anthranilic acid, butyl ester, FEMA No. 2181, CCRIS 4759, 2-Aminobenzoic acid butyl ester, Benzoic acid, 2-amino-, butyl ester, MLS001050125, W218103_ALDRICH, EINECS 231-816-7, 2-Aminobenzoic acid, butyl ester, NSC 406509, NSC406509, ZINC01599253, AI3-03442, LS-1720, NCGC00091623-01

Molecular Formula: C11H15NO2Molecular Weight: 193.242300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HUIYGGQINIVDNW-UHFFFAOYSA-N

• Benzaldehyde Azine
IUPAC Name: N-(benzylideneamino)-1-phenylmethanimine | CAS Registry Number: 588-68-1
Synonyms: Dibenzalazine, Benzalazine, Benzaldazin, Benzaldazine, Eusolex, Benzylideneazine, Dibenzalhydrazine, Benzaldehyde azine, Dibenzylidenehydrazine, 1,4-Diphenylformalazine, Benzaldehyde, azine, Eusolex 6653, 1,2-Dibenzylidenehydrazine, CBDivE_003133, MLS001004856, NSC 3269, EINECS 209-627-6, Benzaldehyde, (phenylmethylene)hydrazone, NSC3269, CID92130

Molecular Formula: C14H12N2Molecular Weight: 208.258480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CWLGEPSKQDNHIO-UHFFFAOYSA-N

• Benzaldehyde Dimethyl Acetal
IUPAC Name: dimethoxymethylbenzene | CAS Registry Number: 1125-88-8
Synonyms: Dimethoxymethylbenzene, Dimethoxyphenylmethane, Benzaldehyde dimethyl acetal, alpha,alpha-Dimethoxytoluene, Ambap3165, (dimethoxymethyl)benzene, Benzaldehyde, dimethyl acetal, dimethoxy-methyl-benzene, BENZENE, (DIMETHOXYMETHYL)-, FEMA No. 2128, Toluene, alpha,alpha-dimethoxy-, W212806_ALDRICH, 226076_ALDRICH, 381438_ALDRICH, 12025_FLUKA, EINECS 214-413-0, .alpha.,.alpha.-Dimethoxytoluene, BENZALDEHYDE DIMETHYLACETAL, Benzaldehyde dimethyl acetal (natural), NSC 286137

Molecular Formula: C9H12O2Molecular Weight: 152.190380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HEVMDQBCAHEHDY-UHFFFAOYSA-N

• Benzhydryl isothiocyanate
IUPAC Name: [isothiocyanato(phenyl)methyl]benzene | CAS Registry Number: 3550-21-8
Synonyms: [Isothiocyanato(phenyl)methyl]benzene, isothiocyanatodiphenylmethane, ST50825755, diphenylmethanisothiocyanate, diphenylmethylisothiocyanate, ZINC02508121, AC1LAUNG, ACMC-20alq6, AC1Q7EXM, 591696_ALDRICH, CTK4H4673, MolPort-000-145-810, SBB096856, AKOS009158774, MCULE-7916895405, BP-11156, KB-75274, Benzene,1,1'-(isothiocyanatomethylene)bis-, FT-0622662, TL80073712

Molecular Formula: C14H11NSMolecular Weight: 225.308840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WDOSFTZMBFYTED-UHFFFAOYSA-N

• Benzo-15-Crown-5
IUPAC Name: 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene | CAS Registry Number: 14098-44-3
Synonyms: Benzo-15-crown-5, Benzyl 15-crown-5, Benzo15C5, Denzo15C5, Monobenzo-15-crown-5, CCRIS 3608, 282790_ALDRICH, CHEBI:37444, EINECS 237-947-6, BRN 1624106, NSC175877, ZINC04240640, Benzo[6]1,4,7,10,13-pentaoxacyclopentadecane, NCGC00166017-01, LS-38791, ST023793, 1,4,7,10,13-Benzopentaoxacyclopentadecin, 2,3,5,6,8,9,11,12-octahydro-, AH-283/31127055, 2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin, 2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine

Molecular Formula: C14H20O5Molecular Weight: 268.305600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: FNEPSTUXZLEUCK-UHFFFAOYSA-N

• Benzo-18-crown-6
IUPAC Name: 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene | CAS Registry Number: 14098-24-9
Synonyms: 372293_ALDRICH, ZINC04261979, CID585779, 1,4,7,10,13,16-Benzohexaoxacyclooctadecin, 2,3,5,6,8,9,11,12,14,15-decahydro-

Molecular Formula: C16H24O6Molecular Weight: 312.358160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: DSFHXKRFDFROER-UHFFFAOYSA-N

• Benzonitrile, 2-chloro-3-methyl-
IUPAC Name: 2-chloro-3-methylbenzonitrile | CAS Registry Number: 15013-71-5
Synonyms: 2-Chloro-3-methylbenzonitrile, AG-D-96698, BENZONITRILE, 2-CHLORO-3-METHYL-, PubChem4731, AGN-PC-001PJP, SureCN1344112, 2-Chloro-3-methyl benzonitrile, 2-Chloro-3-methyl-benzonitrile, CTK3J4409, MolPort-002-317-205, ACT00627, ANW-46998, CL8159, ZINC14989280, AKOS006290806, AM84104, AS02395, LS10020, RP01719, AK-79391

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

InChIKey: RBHUDDGPJRWBTF-UHFFFAOYSA-N

• Benzoyl isothiocyanate
IUPAC Name: benzoyl isothiocyanate | CAS Registry Number: 532-55-8
Synonyms: Benzoylthiocarbimide, Benzoylisothiocyanate, 261653_ALDRICH, 13007_FLUKA, Benzoic acid, anhydride with HNCS, NSC29259, EINECS 208-540-0, Benzoic acid, anhydride with isothiocyanic acid

Molecular Formula: C8H5NOSMolecular Weight: 163.196400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CPEKAXYCDKETEN-UHFFFAOYSA-N

• Benzyl anthranilate
IUPAC Name: phenylmethyl 2-aminobenzoate | CAS Registry Number: 82185-41-9
Synonyms: Oprea1_030897, EINECS 279-911-2, Benzoic acid, 2-amino-, phenylmethyl ester, CID522771, ZINC02169730

Molecular Formula: C14H13NO2Molecular Weight: 227.258520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZHZPDMZPDWXVMJ-UHFFFAOYSA-N

• Benzyl carbazate
IUPAC Name: phenylmethyl N-aminocarbamate | CAS Registry Number: 5331-43-1
Synonyms: Carbobenzoxyhydrazide, Z-hydrazine, Benzyloxycarbonyl hydrazide, Carbazic acid, benzyl ester, Benzyl hydrazinecarboxylate, ((Benzyloxy)carbonyl)hydrazine, (Benzyloxycarbonyl)hydrazine, Hydrazinecarboxylic acid, phenylmethyl ester, [(Benzyloxy)carbonyl]hydrazine, 499781_ALDRICH, NSC 2287, 17307_FLUKA, EINECS 226-230-3, NSC2287, ZINC00403316, LS-76682, TL8003502, InChI=1/C8H10N2O2/c9-10-8(11)12-6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11

Molecular Formula: C8H10N2O2Molecular Weight: 166.177200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: RXUBZLMIGSAPEJ-UHFFFAOYSA-N

• Benzyl Isothiocyanate
IUPAC Name: isothiocyanatomethylbenzene | CAS Registry Number: 622-78-6
Synonyms: benzyl isothiocyanate, Tromacaps, Tromalyt, Urogran, Benzylsenfoel, Benzyl mustard oil, Benzylisothiocyanate, Benzyl-isothiocyanate, PMITC cpd, Benzylsenfoel [German], Isothiocyanic acid, benzyl ester, Benzyl isothio cyanate, (Isothiocyanatomethyl)benzene, Benzene, (isothiocyanatomethyl)-, Spectrum_001820, SpecPlus_000684, Spectrum2_000852, Spectrum3_000793, Spectrum4_001059, Spectrum5_001837

Molecular Formula: C8H7NSMolecular Weight: 149.212880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MDKCFLQDBWCQCV-UHFFFAOYSA-N

• Benzyl p-Hydroxybenzoate
IUPAC Name: phenylmethyl 4-hydroxybenzoate | CAS Registry Number: 94-18-8
Synonyms: Benzylparaben, Nipabenzyl, Parosept, Benzyl 4-hydroxybenzoate, Benzyl Parasept, Benzyl Tegosept, Benzyl-Parasept, Solbrol Z, Benzyl paraben, Nisapulvol, Benzyl p-hydroxybenzoate, Nisapulvol (TN), Benzyl parahydroxybenzoate, Benzyl hydroxybenzoate, Phenylmethyl 4-hydroxybenzoate, p-Hydroxybenzoic acid benzyl ester, Oprea1_135204, BENZYL-4-AMINOBENZOATE, 380709_ALDRICH, NSC 8080

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

InChIKey: MOZDKDIOPSPTBH-UHFFFAOYSA-N

• Biphenyl-2,2'-diacetonitrile
IUPAC Name: 2-[2-[2-(carboxymethyl)phenyl]phenyl]acetic acid | CAS Registry Number: 93012-30-7
Synonyms: 2,2'-Biphenyldiacetic acid, NSC116230, CID419552

Molecular Formula: C16H14O4Molecular Weight: 270.279960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: IXBKIGKDLZRRAL-UHFFFAOYSA-N

• Bis(4-fluorophenyl)ether
IUPAC Name: 1-fluoro-4-(4-fluorophenoxy)benzene | CAS Registry Number: 330-93-8
Synonyms: p-fluorophenyl ether, 4-Fluorophenyl ether, 1,1'-Oxybis(4-fluorobenzene), EINECS 206-358-6, NSC 51793, Benzene, 1,1'-oxybis(4-fluoro-, Benzene, 1,1'-oxybis[4-fluoro-, NSC51793, ZINC00403996, Benzene, 1,1'-oxybis(4-fluoro- (9CI), LS-184872, ST5407872

Molecular Formula: C12H8F2OMolecular Weight: 206.188126 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UUKHFGSOCZLVJO-UHFFFAOYSA-N

• Butyric acid hydrazide
IUPAC Name: butanehydrazide | CAS Registry Number: 3538-65-6
Synonyms: Butanohydrazide, Butyrohydrazide, Butyrylhydrazine, n-Butyric acid hydrazide, ARONIS010643, ALBB-002745, CID77079, NSC24021, NSC41957, EINECS 222-579-0, ZINC01608800, ST5409920

Molecular Formula: C4H10N2OMolecular Weight: 102.135000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: FCCCRBDJBTVFSJ-UHFFFAOYSA-N

• Cyanomethyl triphenylphosphonium chloride
IUPAC Name: cyanomethyl(triphenyl)phosphanium chloride | CAS Registry Number: 4336-70-3
Synonyms: (Cyanomethyl)triphenylphosphonium chloride, WLN: NC1PR&R&R &G, 464937_ALDRICH, EINECS 224-383-0, NSC 92174, NSC92174, CID197040, Phosphonium, (cyanomethyl)triphenyl-, chloride, LS-106892, ST5331235, CYANOMETHYLTRIPHENYLPHOSPHONIUM CHLORIDE

Molecular Formula: C20H17ClNPMolecular Weight: 337.782441 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ARPLQAMUUDIHIT-UHFFFAOYSA-M

• Cyclododecyl Isothiocyanate
IUPAC Name: isothiocyanatocyclododecane | CAS Registry Number: 59037-64-8
Synonyms: Cyclododecyl isothiocyanate, Isothiocyanatocyclododecane, NSC129254, CID143589, ZINC04254034

Molecular Formula: C13H23NSMolecular Weight: 225.393420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VSCLPFIUOOBLQJ-UHFFFAOYSA-N

• Cyclohexanemethyl Isothiocyanate
IUPAC Name: isothiocyanatomethylcyclohexane | CAS Registry Number: 52395-66-1
Synonyms: Cyclohexanemethyl isothiocyanate, (Isothiocyanatomethyl)cyclohexane, Cyclohexylmethyl isothiocyanate, 591262_ALDRICH, (Cyclohexylmethyl) isothiocyanate, NSC400136, CID142928, BBV-15967433

Molecular Formula: C8H13NSMolecular Weight: 155.260520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RYBJNWIQNLZNPE-UHFFFAOYSA-N

• Cyclohexyltriphenylphosphonium bromide
IUPAC Name: cyclohexyl(triphenyl)phosphanium bromide | CAS Registry Number: 7333-51-9
Synonyms: EINECS 230-834-2, CID2724861, ST5408562

Molecular Formula: C24H26BrPMolecular Weight: 425.341001 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QRAKRDZMIONMRZ-UHFFFAOYSA-M

• Cyclooctyl Isothiocyanate
IUPAC Name: isothiocyanatocyclooctane | CAS Registry Number: 33522-04-2
Synonyms: isothiocyanatocyclooctane, Cyclooctyl isothiocyanate, ST50824951, ZINC04254116, cyclooctanisothiocyanate, ACMC-20alc8, AC1MBX5U, Cyclooctane,isothiocyanato-, CTK4H0738, MolPort-000-153-777, AKOS000211796, AG-F-13166, MCULE-7913998054, KB-76279, FT-0624243, A821815, I09-2531, Isothiocyanicacid, cyclooctyl ester (6CI); Cyclooctyl isothiocyanate

Molecular Formula: C9H15NSMolecular Weight: 169.287100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MHPKAOOPCYGVPY-UHFFFAOYSA-N

• Cyclopentyl Isothiocyanate
IUPAC Name: isothiocyanatocyclopentane | CAS Registry Number: 33522-03-1
Synonyms: Cyclopentyl isothiocyanate, Isothiocyanatocyclopentane, ZINC00167186, BB_SC-5674, CID141792

Molecular Formula: C6H9NSMolecular Weight: 127.207360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PJOODZCPFADLCI-UHFFFAOYSA-N

• Cyclopropyl isothiocyanate
IUPAC Name: isothiocyanatocyclopropane | CAS Registry Number: 56601-42-4
Synonyms: Isothiocyanatocyclopropane, Cyclopropane, isothiocyanato-, TOS-BB-1118, BB_SC-1815, EINECS 260-278-6, ZINC02168469, TL8007304

Molecular Formula: C4H5NSMolecular Weight: 99.154200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JGFBQFKZKSSODQ-UHFFFAOYSA-N

• Cyclopropyl-acetic acid
IUPAC Name: 2-[[(1,3-dimethyl-1,3,2-diazaborolidin-2-yl)imino-$l^{4}-sulfanylidene]amino]-1,3-dimethyl-1,3,2-diazaborolidine | CAS Registry Number: 5239-82-7
Synonyms: NSC353881, CID337114, 77936-64-2

Molecular Formula: C8H20B2N6SMolecular Weight: 253.971600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: BXXOHRWKRXBZTG-UHFFFAOYSA-N

• Cyclopropyldiphenylsulfonium Tetrafluoroborate
IUPAC Name: cyclopropyl-di(phenyl)sulfanium tetrafluoroborate | CAS Registry Number: 33462-81-6
Synonyms: EINECS 251-530-6, CID2724210, Cyclopropyldiphenylsulphonium tetrafluoroborate, ST5406459

Molecular Formula: C15H15BF4SMolecular Weight: 314.149213 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: DWEYKSWKFYZEGZ-UHFFFAOYSA-N

• Decyl Isothiocyanate
IUPAC Name: 1-isothiocyanatodecane | CAS Registry Number: 24540-94-1
Synonyms: Decyl isothiocyanate, Decane, 1-isothiocyanato-, CID90535

Molecular Formula: C11H21NSMolecular Weight: 199.356140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HFWWGJSMDPUEFD-UHFFFAOYSA-N

• Dibenzo-30-Crown-10
Synonyms: Dibenzo-30-crown-10, 332518_ALDRICH, CHEBI:359263, ZINC04254217, CID87120, STT-00261232, 2,3,17,18-Dibenzo-1,4,7,10,13,16,19,22,25,28-decaoxacyclotriaconta-2,17-diene, 2,5,8,11,14,21,24,27,30,33-Decaoxa-tricyclo[32.4.0.0*15,20*]octatriaconta-1(38),15(20),16,18,34,36-hexaene, 6,7,9,10,12,13,15,16,23,24,26,27,29,30,32,33-Hexadecahydrodibenzo[b,q][1,4,7,10,13,16,19,22,25,28]decaoxacyclotriacontine, Dibenzo(b,q)(1,4,7,10,13,16,19,22,25,28)decaoxacyclotriacontin, 6,7,9,10,12,13,15,16,23,24,26,27,29,30,32,33-hexadecahydro-

Molecular Formula: C28H40O10Molecular Weight: 536.611200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 10

InChIKey: MXCSCGGRLMRZMF-UHFFFAOYSA-N

• Diethyl 2-phthalimidomalonate
IUPAC Name: diethyl 2-(1,3-dioxoisoindol-2-yl)propanedioate | CAS Registry Number: 5680-61-5
Synonyms: Diethyl phthalimidomalonate, Ethyl phthalimidomalonate, 347175_ALDRICH, AIDS018766, AIDS-018766, CID79760, NSC12023, EINECS 227-138-6, NSC 12023, NSC165971, ZINC01871091, AI3-18227, ST5331264, 2-Isoindolinemalonic acid, 1,3-dioxo-, diethyl ester, 1,3-Dioxo-2-isoindolinemalonic acid, diethyl ester, Propanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, diethyl ester, 29097-77-6

Molecular Formula: C15H15NO6Molecular Weight: 305.282700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: SZNGBHWKVWEBKW-UHFFFAOYSA-N

• Dimethyl 2-fluoroterephthalate
IUPAC Name: dimethyl 2-fluorobenzene-1,4-dicarboxylate | CAS Registry Number: 5292-47-7
Synonyms: 572454_ALDRICH, EINECS 226-135-7, ZINC02584297, 2-Fluoroterephthalic acid, dimethyl ester, ST5320237

Molecular Formula: C10H9FO4Molecular Weight: 212.174463 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: NCRFSIQSCLJDIC-UHFFFAOYSA-N

• Dimethyl 5-bromoisophthalate
IUPAC Name: dimethyl 5-bromobenzene-1,3-dicarboxylate | CAS Registry Number: 51760-21-5
Synonyms: 04077_FLUKA, EINECS 257-386-0, ZINC00393349, 5-Bromoisophthalic acid, dimethyl ester, Dimethyl 5-bromobenzene-1,3-dicarboxylate, ST5408729, 1,3-Benzenedicarboxylic acid, 5-bromo-, dimethyl ester

Molecular Formula: C10H9BrO4Molecular Weight: 273.080060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: QUJINGKSNJNXEB-UHFFFAOYSA-N

• Dimethyl 5-chloroisophthalate
IUPAC Name: dimethyl 5-chlorobenzene-1,3-dicarboxylate | CAS Registry Number: 20330-90-9
Synonyms: NSC13963, ZINC01592076

Molecular Formula: C10H9ClO4Molecular Weight: 228.629060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: CMMPMNSOVLQGMJ-UHFFFAOYSA-N

• Dimethyl 5-iodoisophthalate
IUPAC Name: dimethyl 5-iodobenzene-1,3-dicarboxylate | CAS Registry Number: 51839-15-7
Synonyms: DIMETHYL5-IODOISOPHTHALATE, 5-Iodoisophthalic acid dimethyl ester, Dimethyl-5-iodobenzene-1,3-dicarboxylate, ZINC02571860, AC1MBYGH, PubChem17500, SureCN475680, CTK4J4968, DIAONVDUSXRXCE-UHFFFAOYSA-, MolPort-000-154-826, ANW-48691, FC0869, RW1164, AKOS005215970, 5-Iodo-isophthalic acid dimethyl ester, AG-C-29389, AG-F-76014, QC-4182, AK-41351, BR-41351

Molecular Formula: C10H9IO4Molecular Weight: 320.080530 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: DIAONVDUSXRXCE-UHFFFAOYSA-N

• Dimethyl bromoterephthalate
IUPAC Name: dimethyl 2-bromobenzene-1,4-dicarboxylate | CAS Registry Number: 18643-86-2
Synonyms: Dimethyl 2-bromoterephthalate, EINECS 242-476-4, ZINC02528187, 1,4-Benzenedicarboxylic acid, 2-bromo-, dimethyl ester

Molecular Formula: C10H9BrO4Molecular Weight: 273.080060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: VUMPFOPENBVFOF-UHFFFAOYSA-N

• Dimethyl Chloroterephthalate
IUPAC Name: dimethyl 2-chlorobenzene-1,4-dicarboxylate | CAS Registry Number: 18643-84-0
Synonyms: Dimethyl 2-chloroterephthalate, Dimethyl chloroterephthalate, CID87740, EINECS 242-475-9, ZINC02528188, TL80090867, 1,4-Benzenedicarboxylic acid, 2-chloro-, dimethyl ester

Molecular Formula: C10H9ClO4Molecular Weight: 228.629060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: FUFFCPIFRICMFH-UHFFFAOYSA-N

• Ethyl 1-Naphthoate
IUPAC Name: ethyl naphthalene-1-carboxylate | CAS Registry Number: 3007-97-4
Synonyms: Ethyl 1-naphthoate, 1-Naphthoic acid, ethyl ester, 1-Naphthalenecarboxylic acid, ethyl ester, CID76364, EINECS 221-120-1, NSC409986, ZINC00394909, BBV-24870252, AI3-06324, S14-1284

Molecular Formula: C13H12O2Molecular Weight: 200.233180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XCTLDQQOHIEUCJ-UHFFFAOYSA-N

• Ethyl 2-Isothiocyanatopropionate
IUPAC Name: ethyl (2R)-2-isothiocyanatopropanoate | CAS Registry Number: 39574-16-8
Synonyms: Ethyl 2-isothiocyanatopropionate, ZINC04255785, CID7154335

Molecular Formula: C6H9NO2SMolecular Weight: 159.206160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ALJGYASQFZQQJX-RXMQYKEDSA-N

• Ethyl 2-Nitropropionate
IUPAC Name: ethyl 2-nitropropanoate | CAS Registry Number: 2531-80-8
Synonyms: Ethyl 2-nitropropionate, Ethyl alpha-nitropropionate, Ethyl .alpha.-nitropropionate, 339407_ALDRICH, Propanoic acid, 2-nitro-, ethyl ester, CID97978, NSC63896, Propionic acid, 2-nitro-, ethyl ester, NSC 63896, LT03332141, 152310-05-9

Molecular Formula: C5H9NO4Molecular Weight: 147.129260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ZXBGJDZWJJFFQY-UHFFFAOYSA-N

• Ethyl 3-(4-Hydroxy-3-Methoxyphenyl)propionate
IUPAC Name: ethyl 3-(4-hydroxy-3-methoxyphenyl)propanoate | CAS Registry Number: 61292-90-8
Synonyms: ZINC02566137, EINECS 262-689-6, CID123548, Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionate, Ethyl-.beta.-(4-hydroxy-3-methoxy-phenyl)-propionate, Ethyl-beta-(4-hydroxy-3-methoxy-phenyl)-propionate

Molecular Formula: C12H16O4Molecular Weight: 224.253040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: XFJQZDADXNOFTQ-UHFFFAOYSA-N

• Ethyl 3-bromobenzoate
IUPAC Name: ethyl 3-bromobenzoate | CAS Registry Number: 24398-88-7
Synonyms: 335819_ALDRICH, m-Bromobenzoic acid, ethyl ester, Benzoic acid, m-bromo-, ethyl ester, AIDS018033, Benzoic acid, 3-bromo-, ethyl ester, AIDS-018033, EINECS 246-223-9, ZINC00389583, ST5307042

Molecular Formula: C9H9BrO2Molecular Weight: 229.070560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QAUASTLEZAPQTB-UHFFFAOYSA-N

• Ethyl 3-Isothiocyanatobutyrate
IUPAC Name: ethyl 3-isothiocyanatobutanoate | CAS Registry Number: 206750-29-0
Synonyms: Ethyl 3-isothiocyanatobutyrate, Ethyl 3-isothiocyanatobutanoate, Ethyl dl-3-isothiocyanatobutyrate, AC1LBK0Z, AC1Q64YX, ACMC-1CJ15, Ethyl 3-isothiocyanatobutanoate;, CTK1A1811, MolPort-000-155-280, AR-1I8861, AKOS006229640, AG-K-76231, MCULE-9988633927, RP00135, 3-isothiocyanatobutanoic acid ethyl ester, KB-105305, FT-0626032, ST50825045, Y8194, Butanoic acid, 3-isothiocyanato-, ethyl ester

Molecular Formula: C7H11NO2SMolecular Weight: 173.232740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: BJPWLYQGLIRJLZ-UHFFFAOYSA-N

• Ethyl 3-Isothiocyanatopropionate
IUPAC Name: ethyl 3-isothiocyanatopropanoate | CAS Registry Number: 17126-62-4
Synonyms: 3-Isothiocyanato-propionic acid ethyl ester, CID526514, ZINC02390116

Molecular Formula: C6H9NO2SMolecular Weight: 159.206160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UPTRONYNXNYITM-UHFFFAOYSA-N

• Ethyl 3-nitrobenzoate
IUPAC Name: ethyl 3-nitrobenzoate | CAS Registry Number: 618-98-4
Synonyms: Ethyl m-nitrobenzoate, DL-Glyceraldehyde, Ethyl-m-nitrobenzoate, m-Nitrobenzoic acid, ethyl ester, Benzoic acid, 3-nitro-, ethyl ester, NSC6762, NSC 6762, NSC32740, EINECS 210-574-6, Benzoic acid, m-nitro-, ethyl ester, NSC 32740, ZINC00153287, AI3-02745, ST5406827, Benzoic acid, m-nitro-, ethyl ester (8CI), InChI=1/C9H9NO4/c1-2-14-9(11)7-4-3-5-8(6-7)10(12)13/h3-6H,2H2,1H

Molecular Formula: C9H9NO4Molecular Weight: 195.172060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MKBIJCPQTPFQKQ-UHFFFAOYSA-N

• Ethyl 4-[(Hydrazinocarbothioyl)amino]benzoate
IUPAC Name: ethyl 4-(aminocarbamothioylamino)benzoate | CAS Registry Number: 70619-50-0
Synonyms: Maybridge1_005267, Oprea1_751956, MLS000689336, MolPort-000-150-305, ZINC00171872, ZINC13544502, CID2823865, ML00050, FS000865, SMR000311135, 4-(4-Ethoxycarbonylphenyl)-3-thiosemicarbazide, ethyl 4-[(hydrazinocarbonothioyl)amino]benzoate

Molecular Formula: C10H13N3O2SMolecular Weight: 239.294120 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: AFWIXYFUAGZASP-UHFFFAOYSA-N

• Ethyl 4-nitrophenylacetate
IUPAC Name: ethyl 2-(4-nitrophenyl)acetate | CAS Registry Number: 5445-26-1
Synonyms: Ethyl p-nitrophenylacetate, Ethyl-4-nitrophenylacetate, Ethyl 4-nitrobenzeneacetate, Maybridge1_006416, Ethyl (4-nitrophenyl)acetate, Oprea1_171692, CID79517, NSC21986, EINECS 226-646-5, Acetic acid, (p-nitrophenyl)-, ethyl ester, NSC 21986, ZINC00083187, Benzeneacetic acid, 4-nitro-, ethyl ester, ST5307895, InChI=1/C10H11NO4/c1-2-15-10(12)7-8-3-5-9(6-4-8)11(13)14/h3-6H,2,7H2,1H

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

InChIKey: DWDRNKYLWMKWTH-UHFFFAOYSA-N

• Ethyl coumarin-3-carboxylate
IUPAC Name: ethyl 2-oxochromene-3-carboxylate | CAS Registry Number: 1846-76-0
Synonyms: 3-Carbethoxycoumarin, Ethyl 3-coumarincarboxylate, 3-Ethoxycarbonylcoumarin, Maybridge1_001094, NSC 620, 390801_ALDRICH, NSC620, Coumarin-3-carboxylic acid ethyl ester, BRN 0200147, ZINC00028114, SDCCGMLS-0065851.P001, Ethyl 2-oxo-2H-chromene-3-carboxylate, LS-39230, Propionic acid 2-oxo-2H-chromen-3-yl ester, 1,2-Benzopyran-2-one-3-carboxylic acid, ethyl ester, 5-18-08-00323 (Beilstein Handbook Reference), A3989/0169935, 2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, 2-OXO-, ETHYL ESTER, 2-OXO-2H,1-BENZOPYRAN-3-CARBOXYLIC ACID, ETHYL ESTER, InChI=1/C12H10O4/c1-2-15-11(13)9-7-8-5-3-4-6-10(8)16-12(9)14/h3-7H,2H2,1H

Molecular Formula: C12H10O4Molecular Weight: 218.205400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: XKHPEMKBJGUYCM-UHFFFAOYSA-N

• Ethyl isothiocyanatoacetate
IUPAC Name: ethyl 2-isothiocyanatoacetate | CAS Registry Number: 24066-82-8
Synonyms: Ethyl isothiocyanoacetate, Carbethoxymethyl isothiocyanate, Carboethoxymethyl isothiocyanate, 279692_ALDRICH, BRN 0507542, ZINC02014870, ACETIC ACID, ISOTHIOCYANATO-, ETHYL ESTER, LS-12311, 2-04-00-00800 (Beilstein Handbook Reference)

Molecular Formula: C5H7NO2SMolecular Weight: 145.179580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: IYPSSPPKMLXXRN-UHFFFAOYSA-N

• Ethyl propionylacetate
IUPAC Name: ethyl 3-oxopentanoate | CAS Registry Number: 4949-44-4
Synonyms: Ethyl 3-oxovalerate, Ethylpropionyl acetate, Ethyl 3-oxo-n-valerate, Ethyl 3-oxopentanoate, Ambap4602, 247162_ALDRICH, 75953_FLUKA, NSC7251, CID78656, NSC78662, EINECS 225-593-5, ZINC04261948, Pentanoic acid, 3-oxo-, ethyl ester, AI3-30964

Molecular Formula: C7H12O3Molecular Weight: 144.168380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UDRCONFHWYGWFI-UHFFFAOYSA-N

• Geranyl Benzoate
IUPAC Name: [(2E)-3,7-dimethylocta-2,6-dienyl] benzoate | CAS Registry Number: 94-48-4
Synonyms: Geranyl benzoate, Geraniol benzoate, Benzoic acid geranyl ester, Benzoic acid, geraniol ester, FEMA No. 2511, W251100_ALDRICH, EINECS 202-337-0, BRN 3119464, AI3-35981, CID5353011, LS-2766, ST5320249, trans-3,7-Dimethyl-2,6-octadien-1-yl benzoate, (2E)-3,7-Dimethyl-2,6-octadienyl benzoate, 2,6-Octadien-1-ol, 3,7-dimethyl-, benzoate, (2E)-, 3-09-00-00412 (Beilstein Handbook Reference), 2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, BENZOATE, (E)-

Molecular Formula: C17H22O2Molecular Weight: 258.355380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YDVXYTIIPGKIJP-NTCAYCPXSA-N


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