Benzene and substituted derivatives

Rosolic acid, ACROS Organics™

CAS: 603-45-2 Molecular Formula: C19H14O3 Molecular Weight (g/mol): 290.32 MDL Number: MFCD00001624 InChI Key: FYEHYMARPSSOBO-UHFFFAOYSA-N Synonym: aurin, rosolic acid, corallin, p-rosolic acid, aurine, spirit aurine, corallin spirit soluble, 4,4'-dihydroxyfuchsone, aurin no. 555, 4-bis 4-hydroxyphenyl methylene cyclohexa-2,5-dienone PubChem CID: 5100 ChEBI: CHEBI:34544 IUPAC Name: 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one SMILES: C1=CC(=O)C=CC1=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O

Dextran sulfate sodium salt (36,000-50,000 M.Wt), MP Grade, MP Biomedicals™

CAS: 9011-18-1 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 InChI Key: BLFLLBZGZJTVJG-UHFFFAOYSA-N Synonym: benzocaine, ethyl aminobenzoate, ethyl p-aminobenzoate, americaine, anesthesin, anaesthesin, ethoform, norcaine, orthesin, parathesin PubChem CID: 2337 ChEBI: CHEBI:116735 IUPAC Name: ethyl 4-aminobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)N

Alfa Aesar™ (4-Carboxybutyl)triphenylphosphonium bromide, 98%

CAS: 17814-85-6 Molecular Formula: C23H24BrO2P Molecular Weight (g/mol): 443.321 MDL Number: MFCD00011906 InChI Key: MLOSJPZSZWUDSK-UHFFFAOYSA-N Synonym: 4-carboxybutyl triphenylphosphonium bromide, phosphonium, 4-carboxybutyl triphenyl-, bromide, 4-carboxybutyl triphenylphosphanium bromide, carboxybutyltriphenylphosphonium bromide, 5-triphenylphosphonio pentanoic acid bromide, 4-carboxybutyl-triphenylphosphonium bromide, triphenyl 4-carboxybutyl phosphonium bromide, 4-carboxybutyl triphenyl phosphonium bromide PubChem CID: 161236 IUPAC Name: 4-carboxybutyl(triphenyl)phosphanium;bromide SMILES: C1=CC=C(C=C1)[P+](CCCCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Crystal Violet, pure, indicator, ACROS Organics™

CAS: 548-62-9 Molecular Formula: C25H30ClN3 Molecular Weight (g/mol): 407.986 MDL Number: MFCD00011750 InChI Key: ZXJXZNDDNMQXFV-UHFFFAOYSA-M Synonym: Basic Violet 3, C.I. 42555, Gentian Violet PubChem CID: 11057 ChEBI: CHEBI:41688 IUPAC Name: [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;chloride SMILES: CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-]

o-Toluidine, 99%, ACROS Organics™

CAS: 95-53-4 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.15 MDL Number: MFCD00007730 InChI Key: RNVCVTLRINQCPJ-UHFFFAOYSA-N Synonym: o-toluidine, 2-toluidine, o-tolylamine, 2-aminotoluene, 2-methylbenzenamine, ortho-toluidine, o-methylaniline, benzenamine, 2-methyl, o-aminotoluene, o-methylbenzenamine PubChem CID: 7242 ChEBI: CHEBI:66892 IUPAC Name: 2-methylaniline SMILES: CC1=CC=CC=C1N

p-Toluenesulfonic acid monohydrate, 99%, extra pure, ACROS Organics™

CAS: 6192-52-5 Molecular Formula: C7H10O4S Molecular Weight (g/mol): 190.213 MDL Number: MFCD00142137 InChI Key: KJIFKLIQANRMOU-UHFFFAOYSA-N Synonym: p-toluenesulfonic acid monohydrate, 4-methylbenzenesulfonic acid hydrate, 4-methylbenzenesulfonic acid monohydrate, p-toluene sulfonic acid monohydrate, unii-3bto78gaff, benzenesulfonic acid, 4-methyl-, monohydrate, ptoluenesulfonic acid, p-toluenesulfonic acid, monohydrate, 3bto78gaff, 4-methylbenzene-1-sulfonic acid hydrate PubChem CID: 521998 IUPAC Name: 4-methylbenzenesulfonic acid;hydrate SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.O

Toluene-4-Sulfonic Acid, Extra Pure, SLR, Fisher Chemical™

CAS: 6192-52-5 Molecular Formula: C7H10O4S Molecular Weight (g/mol): 190.213 MDL Number: 142137 InChI Key: KJIFKLIQANRMOU-UHFFFAOYSA-N Synonym: p-toluenesulfonic acid monohydrate, 4-methylbenzenesulfonic acid hydrate, 4-methylbenzenesulfonic acid monohydrate, p-toluene sulfonic acid monohydrate, unii-3bto78gaff, benzenesulfonic acid, 4-methyl-, monohydrate, ptoluenesulfonic acid, p-toluenesulfonic acid, monohydrate, 3bto78gaff, 4-methylbenzene-1-sulfonic acid hydrate PubChem CID: 521998 IUPAC Name: 4-methylbenzenesulfonic acid;hydrate SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.O

p-Toluenesulfonic acid monohydrate, ACS reagent, ACROS Organics™

CAS: 6192-52-5 Molecular Formula: C7H10O4S Molecular Weight (g/mol): 190.213 InChI Key: KJIFKLIQANRMOU-UHFFFAOYSA-N Synonym: p-toluenesulfonic acid monohydrate, 4-methylbenzenesulfonic acid hydrate, 4-methylbenzenesulfonic acid monohydrate, p-toluene sulfonic acid monohydrate, unii-3bto78gaff, benzenesulfonic acid, 4-methyl-, monohydrate, ptoluenesulfonic acid, p-toluenesulfonic acid, monohydrate, 3bto78gaff, 4-methylbenzene-1-sulfonic acid hydrate PubChem CID: 521998 IUPAC Name: 4-methylbenzenesulfonic acid;hydrate SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.O

Alfa Aesar™ p-Toluenesulfonic acid monohydrate, ACS, 98.5+%

CAS: 6192-52-5 Molecular Formula: C7H10O4S Molecular Weight (g/mol): 190.213 MDL Number: MFCD00142137 InChI Key: KJIFKLIQANRMOU-UHFFFAOYSA-N Synonym: p-toluenesulfonic acid monohydrate, 4-methylbenzenesulfonic acid hydrate, 4-methylbenzenesulfonic acid monohydrate, p-toluene sulfonic acid monohydrate, unii-3bto78gaff, benzenesulfonic acid, 4-methyl-, monohydrate, ptoluenesulfonic acid, p-toluenesulfonic acid, monohydrate, 3bto78gaff, 4-methylbenzene-1-sulfonic acid hydrate PubChem CID: 521998 IUPAC Name: 4-methylbenzenesulfonic acid;hydrate SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.O

Chrome Azurol S, MP Biomedicals™

CAS: 1667-99-8 Molecular Formula: C23H13Cl2Na3O9S Molecular Weight (g/mol): 605.277 MDL Number: MFCD00001615 InChI Key: FUIZKNBTOOKONL-UHFFFAOYSA-K Synonym: Mordant Blue 29, C.I. 43825 PubChem CID: 54736314 IUPAC Name: trisodium;5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichloro-3-sulfonatophenyl)methyl]-3-methyl-2-oxidobenzoate SMILES: CC1=CC(=CC(=C1[O-])C(=O)[O-])C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=C(C=CC(=C3Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+]

Alfa Aesar™ 2-Chloro-1-iodo-4-nitrobenzene, 98%

CAS: 41252-96-4 Molecular Formula: C6H3ClINO2 Molecular Weight (g/mol): 283.449 MDL Number: MFCD00024589 InChI Key: FQXFHRSYMORXKN-UHFFFAOYSA-N Synonym: 3-chloro-4-iodonitrobenzene, 3-chloro-4-iodo-nitrobenzene, 3-chloro-4-iodo-nitro-benzene, benzene, 2-chloro-1-iodo-4-nitro, 2-chlor-1-iod-4-nitrobenzol, acmc-20a36k, 3-chloro-4-iodonitro benzene, 1-iodo-2-chloro-4-nitrobenzene, 2-chloro-1-iodo-4-nitro-benzene, 1-chloro-2-iodo-5-nitrobenzene PubChem CID: 96640 IUPAC Name: 2-chloro-1-iodo-4-nitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)I

Bromothymol Blue, sodium salt, pure, water soluble, indicator, ACROS Organics™

CAS: 34722-90-2 Molecular Formula: C27H27Br2NaO5S Molecular Weight (g/mol): 646.366 MDL Number: MFCD00077263 InChI Key: NMKFVGALBGZKGW-FKWCIMQXSA-M Synonym: Bromthymol Blue, sodium salt, 3', 3''-Dibromothymolsulfonephthalein, sodium salt, BTB PubChem CID: 102183223 IUPAC Name: sodium;2-bromo-4-[(Z)-(3-bromo-2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)-(2-sulfophenyl)methyl]-3-methyl-6-propan-2-ylphenolate SMILES: CC1=C(C(=C(C=C1C(=C2C=C(C(=O)C(=C2C)Br)C(C)C)C3=CC=CC=C3S(=O)(=O)O)C(C)C)[O-])Br.[Na+]

Alfa Aesar™ 4-Iodobenzotrifluoride, 98%

CAS: 455-13-0 Molecular Formula: C7H4F3I Molecular Weight (g/mol): 272.009 MDL Number: MFCD00039398 InChI Key: SKGRFPGOGCHDPC-UHFFFAOYSA-N Synonym: 4-iodobenzotrifluoride, 1-iodo-4-trifluoromethyl benzene, p-iodobenzotrifluoride, benzene, 1-iodo-4-trifluoromethyl, 4-trifluoromethyl iodobenzene, 4-iodo-alpha,alpha,alpha-trifluorotoluene, alpha,alpha,alpha-trifluoro-4-iodotoluene, 4-iodobenztrifluoride, 4-iodobenzo trifluoride, 4-iodo-1-trifluoromethylbenzene PubChem CID: 67993 IUPAC Name: 1-iodo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)I

Alfa Aesar™ 2-Amino-6-fluorobenzoic acid, 98%

CAS: 434-76-4 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD00067781 InChI Key: RWSFZKWMVWPDGZ-UHFFFAOYSA-N Synonym: 6-fluoroanthranilic acid, anthralic acid, 6-fluoro, benzoic acid, 2-amino-6-fluoro, 6-amino-2-fluorobenzoic acid, 2-amino-6-fluoro-benzoic acid, 2,amino-6-fluorobenzoic acid, 4owo, pubchem1324, 6-fluoroanthanilic acid, acmc-209jun PubChem CID: 521142 IUPAC Name: 2-amino-6-fluorobenzoic acid SMILES: C1=CC(=C(C(=C1)F)C(=O)O)N

4-Bromoveratrole, 97%, ACROS Organics™

CAS: 2859-78-1 Molecular Formula: C8H9BrO2 Molecular Weight (g/mol): 217.06 MDL Number: MFCD00008381 InChI Key: KBTMGSMZIKLAHN-UHFFFAOYSA-N Synonym: 4-bromoveratrole, 1-bromo-3,4-dimethoxybenzene, 3,4-dimethoxybromobenzene, p-bromoveratrole, benzene, 4-bromo-1,2-dimethoxy, 3,4-dimethoxyphenyl bromide, 4-bromo-1,2-dimethoxy-benzene, 1,2-dimethoxy-4-bromobenzene, 4-bromocatechol dimethyl ether, 4-bromoveratrol PubChem CID: 76114 IUPAC Name: 4-bromo-1,2-dimethoxybenzene SMILES: COC1=C(C=C(C=C1)Br)OC

Alfa Aesar™ 1,3-Di-tert-butylbenzene, 99%

CAS: 1014-60-4 Molecular Formula: C14H22 Molecular Weight (g/mol): 190.33 MDL Number: MFCD00008830 InChI Key: ILNDSSCEZZFNGE-UHFFFAOYSA-N Synonym: 1,3-di-tert-butylbenzene, benzene, 1,3-bis 1,1-dimethylethyl, benzene, m-di-tert-butyl, m-di-tert-butylbenzene, 1,3-di-t-butylbenzene, 1,3-ditert-butyl-benzene, 1,3-ditertiarybutylbenzene, 1,3-di-tert-butyl-benzene, acmc-1bo58, 1,3-bis tert-butyl benzene PubChem CID: 136810 IUPAC Name: 1,3-ditert-butylbenzene SMILES: CC(C)(C)C1=CC(=CC=C1)C(C)(C)C

Alfa Aesar™ 4-Fluoro-3-methyl(thiobenzamide), 97%

CAS: 1016775-44-2 Molecular Formula: C8H8FNS Molecular Weight (g/mol): 169.217 MDL Number: MFCD09757567 InChI Key: GTDSYOIDNUFACN-UHFFFAOYSA-N Synonym: 4-fluoro-3-methylbenzene-1-carbothioamide, 4-fluoro-3-methyl thiobenzamide, 4-fluoro-3-methyl-thiobenzamide PubChem CID: 24695488 IUPAC Name: 4-fluoro-3-methylbenzenecarbothioamide SMILES: CC1=C(C=CC(=C1)C(=S)N)F

Alfa Aesar™ Tris(dibenzylideneacetone)dipalladium(0), complex with chloroform, Pd 20.6%

CAS: 52522-40-4 Molecular Formula: C52H43Cl3O3Pd2 Molecular Weight (g/mol): 1035.103 MDL Number: MFCD00075479 InChI Key: LNAMMBFJMYMQTO-FNEBRGMMSA-N Synonym: tris dibenzylideneacetone dipalladium-chloroform adduct, tris dibenylideneacetone dipalladium-chloroform, tris dibenzylideneacetone dipalladium 0 chloroform adduct, tris dibenzylideneacetone dipalladium 0-chloroform adduct, tris dibenzylideneacetone dipalladium chloroform adduct, tris dibenzylideneacetone dipalladium-chloroform, pd2 dba 3 chcl3, tris dibenzylideneacetone chloroform-di-palladium 0, tris dibenzylideneacetone dipalladium chloroform complex PubChem CID: 11029508 IUPAC Name: chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium SMILES: C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C(Cl)(Cl)Cl.[Pd].[Pd]

Alfa Aesar™ Methyl 4-fluoro-2-methoxybenzoate, 97+%

CAS: 204707-42-6 Molecular Formula: C9H9FO3 Molecular Weight (g/mol): 184.166 MDL Number: MFCD06203990 InChI Key: LJUAEPNTXDJBRX-UHFFFAOYSA-N Synonym: 4-fluoro-2-methoxybenzoic acid methyl ester, methyl 2-methoxy-4-fluoro-benzoate, benzoic acid, 4-fluoro-2-methoxy-, methyl ester, rarechem al bf 1023, methyl-4-fluoro-2-methoxybenzoate, methyl 4-fluoranyl-2-methoxy-benzoate, 2-methoxy-4-fluorobenzoic acid methyl ester, 4-fluoro-2-methoxy-benzoic acid methyl ester PubChem CID: 10241478 IUPAC Name: methyl 4-fluoro-2-methoxybenzoate SMILES: COC1=C(C=CC(=C1)F)C(=O)OC

L(+)-Amethopterin hydrate, 99%, ACROS Organics™

CAS: 133073-73-1 Molecular Formula: C20H22N8O5·xH2O Molecular Weight (g/mol): 454.44 MDL Number: MFCD00150847 InChI Key: TXQDMGIRZSHAQM-GXKRWWSZSA-N Synonym: l +-amethopterin dihydrate, methotrexate dihydrate, dihydrate methotrexate, 2s-2-4-2,4-diaminopteridin-6-yl methyl methylamino phenyl carbonylamino pentanedioic acid, hydrate, hydrate PubChem CID: 45157423 IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;dihydrate SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O.O.O

2,4-Dinitroaniline, 99%, ACROS Organics™

CAS: 97-02-9 Molecular Formula: C6H5N3O4 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007151 InChI Key: LXQOQPGNCGEELI-UHFFFAOYSA-N Synonym: benzenamine, 2,4-dinitro, 1-amino-2,4-dinitrobenzene, 2,4-dinitroanilin, 2,4-dinitrobenzenamine, 2,4-dinitroanilina, 2,4-dinitraniline, 2,4-dinitrophenylamine, aniline, 2,4-dinitro, 2,4-dinitroaminobenzene, 2,4-nitroaniline PubChem CID: 7321 ChEBI: CHEBI:34242 IUPAC Name: 2,4-dinitroaniline SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N

Alfa Aesar™ 4-Methoxybenzenediazonium tetrafluoroborate, 98%

CAS: 459-64-3 Molecular Formula: C7H7BF4N2O Molecular Weight (g/mol): 221.95 MDL Number: MFCD00011897 InChI Key: BYGWNWAFXUPZHI-UHFFFAOYSA-N Synonym: 4-methoxybenzenediazonium tetrafluoroborate, 4-methoxybenzenediazoniumfluoroborate, 4-methoxybenzene diazonium fluoroborate, acmc-1aeuk, ksc236e8f, 4-methoxyphenyldiazonium tetrafluoroborate, p-methoxybenzenediazonium tetrafluoroborate, 4-methoxybenzene-1-diazonium; tetrafluoroboranuide PubChem CID: 517233 IUPAC Name: 4-methoxybenzenediazonium;tetrafluoroborate SMILES: [B-](F)(F)(F)F.COC1=CC=C(C=C1)[N+]#N

Alfa Aesar™ 3-Fluoro-2-methoxybenzoic acid, 98%

CAS: 106428-05-1 Molecular Formula: C8H7FO3 Molecular Weight (g/mol): 170.139 MDL Number: MFCD00973972 InChI Key: MEOOXZGGYVXUSG-UHFFFAOYSA-N Synonym: 3-fluoro-2-methoxybenzoicacid, 3-fluoro-2-methoxy-benzoic acid, fluoro-methoxybenzoic acid, acmc-1bo0c, buttpark 20\01-60, benzoic acid,3-fluoro-2-methoxy, 3-fluoro-2-methyloxy benzoic acid, benzoic acid, 3-fluoro-2-methoxy PubChem CID: 2737361 IUPAC Name: 3-fluoro-2-methoxybenzoic acid SMILES: COC1=C(C=CC=C1F)C(=O)O

Alfa Aesar™ 4-(Trifluoromethylthio)benzylamine, 95%

CAS: 128273-56-3 Molecular Formula: C8H8F3NS Molecular Weight (g/mol): 207.214 MDL Number: MFCD00190129 InChI Key: LACURGWEZCFLBO-UHFFFAOYSA-N Synonym: 4-trifluoromethylthio benzylamine, 4-trifluoromethyl thio phenyl methanamine, 4-trifluoromethylsulfanyl phenyl methanamine, 4-trifluoromethyl sulfanyl phenyl methanamine, 1-4-trifluoromethyl thio phenyl methanamine, 1-4-trifluoromethyl sulfanyl phenyl methanamine, acmc-1chvc, rarechem al bw 0450, 4-trifluomethylthio benzylamine PubChem CID: 2777875 IUPAC Name: [4-(trifluoromethylsulfanyl)phenyl]methanamine SMILES: C1=CC(=CC=C1CN)SC(F)(F)F

Diphenylphosphonic azide, 97%, Alfa Aesar™

CAS: 26386-88-9 Molecular Formula: C12H10N3O3P Molecular Weight (g/mol): 275.204 MDL Number: MFCD00001987 InChI Key: SORGEQQSQGNZFI-UHFFFAOYSA-N Synonym: diphenylphosphoryl azide, diphenyl azidophosphate, diphenylphosphonic azide, diphenyl phosphoryl azide, diphenyl phosphorazidate, phosphorazidic acid, diphenyl ester, azido phenoxy phosphoryl oxy benzene, dppa polymer-bound, diphenylphosphorazidate, unii-gxm91165av PubChem CID: 123414 IUPAC Name: [azido(phenoxy)phosphoryl]oxybenzene SMILES: C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2

2-Naphthyl phenyl ketone, 98%, ACROS Organics™

CAS: 644-13-3 Molecular Formula: C17H12O Molecular Weight (g/mol): 232.28 MDL Number: MFCD00004106 InChI Key: SJNXJRVDSTZUFB-UHFFFAOYSA-N Synonym: 2-benzoylnaphthalene, 2-naphthyl phenyl ketone, 2-benzonaphthone, naphthalen-2-yl phenyl methanone, methanone, 2-naphthalenylphenyl, 2'-benzonaphthone, ketone, 2-naphthyl phenyl, 2-naphthylphenylketone, beta-benzoylnaphthalene, 2-naphthyl phenyl methanone PubChem CID: 69516 IUPAC Name: naphthalen-2-yl(phenyl)methanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3C=C2

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