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™ 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

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

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-]

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

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

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-]

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

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+]

p-Toluenesulfonic acid monohydrate, 97.5%, pure, ACROS Organics™

CAS: 6192-52-5 Molecular Formula: C7H8O3S·H2O Molecular Weight (g/mol): 190.22 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

3,4-Dimethoxybenzyl alcohol, 96%, ACROS Organics™

CAS: 93-03-8 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.19 InChI Key: OEGPRYNGFWGMMV-UHFFFAOYSA-N Synonym: 3,4-dimethoxybenzyl alcohol, veratryl alcohol, 3,4-dimethoxyphenyl methanol, benzenemethanol, 3,4-dimethoxy, 3,4-dimethoxyphenylmethyl alcohol, veratrole alcohol, 3,4-dimethoxybenzenemethanol, unii-mb4t4a711h, 3,4-dimethoxyphenyl-methanol PubChem CID: 7118 ChEBI: CHEBI:62150 IUPAC Name: (3,4-dimethoxyphenyl)methanol SMILES: COC1=C(C=C(C=C1)CO)OC

Alfa Aesar™ 2-Fluoro-4-(trifluoromethoxy)aniline, 97%

CAS: 123572-58-7 Molecular Formula: C7H5F4NO Molecular Weight (g/mol): 195.117 MDL Number: MFCD15527448 InChI Key: HDDJDTDRGKHRBG-UHFFFAOYSA-N Synonym: 2-fluoro-4-trifluoromethoxy aniline, benzenamine, 2-fluoro-4-trifluoromethoxy, 2-fluoro-4-trifluoromethoxy benzenamine PubChem CID: 14439304 IUPAC Name: 2-fluoro-4-(trifluoromethoxy)aniline SMILES: C1=CC(=C(C=C1OC(F)(F)F)F)N

Alfa Aesar™ 2-(Difluoromethoxy)benzoic acid, 97%

CAS: 97914-59-5 Molecular Formula: C8H6F2O3 Molecular Weight (g/mol): 188.13 MDL Number: MFCD00236223 InChI Key: AGDOJFCUKQMLHD-UHFFFAOYSA-N Synonym: 2-difluoromethoxy benzoic acid, benzoic acid, 2-difluoromethoxy, 2-difluoromethoxy-benzoic acid, rarechem al bo 1907, timtec-bb sbb029907, art-chem-bb b006808, benzoic acid,2-difluoromethoxy, 2-carboxy-alpha,alpha-difluoroanisole, 2-bis fluoranyl methoxy benzoic acid PubChem CID: 2063348 IUPAC Name: 2-(difluoromethoxy)benzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)OC(F)F

Alfa Aesar™ 4-tert-Butylcatechol, 98%

CAS: 98-29-3 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00002201 InChI Key: XESZUVZBAMCAEJ-UHFFFAOYSA-N Synonym: 4-tert-butylcatechol, p-tert-butylcatechol, 4-tert-butylpyrocatechol, p-tert-butyl catechol, 4-tert-butyl benzene-1,2-diol, 4-t-butylpyrocatechol, p-tert-butylpyrocatechol, 4-t-butylcatechol, 1,2-benzenediol, 4-1,1-dimethylethyl, 4-tert-butylcatechin PubChem CID: 7381 IUPAC Name: 4-tert-butylbenzene-1,2-diol SMILES: CC(C)(C)C1=CC(=C(C=C1)O)O

3-(Bromomethyl)phenylboronic acid, 97%, ACROS Organics™

CAS: 51323-43-4 Molecular Formula: C7H8BBrO2 Molecular Weight (g/mol): 214.85 MDL Number: MFCD01632207 InChI Key: ATRFDLFMCLYROQ-UHFFFAOYSA-N Synonym: 3-bromomethylphenylboronic acid, 3-bromomethyl phenylboronic acid, 3-bromomethyl benzeneboronic acid, 3-bromomethyl phenyl boronic acid, 3-bromomethylphenyl boronic acid, m-bromomethyl phenylboronic acid, boronic acid, 3-bromomethyl phenyl, pubchem7782, acmc-1aoze PubChem CID: 2773281 IUPAC Name: [3-(bromomethyl)phenyl]boronic acid SMILES: B(C1=CC(=CC=C1)CBr)(O)O

Alfa Aesar™ 2-Fluoro-6-(trifluoromethyl)benzyl bromide, 97%

CAS: 239087-08-2 Molecular Formula: C8H5BrF4 Molecular Weight (g/mol): 257.026 MDL Number: MFCD00082477 InChI Key: RINUERVPFANASB-UHFFFAOYSA-N Synonym: 2-fluoro-6-trifluoromethyl benzyl bromide, 2-bromomethyl-1-fluoro-3-trifluoromethyl benzene, 2-fluoro-6-trifluoromethylbenzyl bromide, 2-fluoro-6-trifluoromethylbenzylbromide, 2-fluoro-6-trifluoromethyl benzylbromide, 2-bromomethyl-3-fluorobenzotrifluoride, alpha-bromo-2-fluoro-6-trifluoromethyl toluene, benzene, 2-bromomethyl-1-fluoro-3-trifluoromethyl, pubchem4932, acmc-1cg83 PubChem CID: 2737573 IUPAC Name: 2-(bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene SMILES: C1=CC(=C(C(=C1)F)CBr)C(F)(F)F

Alfa Aesar™ 3-Chloro-5-fluorobenzyl bromide, 97%

CAS: 493024-39-8 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.469 MDL Number: MFCD03788472 InChI Key: PKSAHOPFPPAUOD-UHFFFAOYSA-N Synonym: 3-chloro-5-fluorobenzyl bromide, 1-bromomethyl-3-chloro-5-fluorobenzene, 3-chloro-5-fluorobenzylbromide, 5-chloro-3-fluorobenzyl bromide, benzene, 1-bromomethyl-3-chloro-5-fluoro, 5-bromomethyl-3-chloro-1-fluorobenzene, alpha-bromo-3-chloro-5-fluorotoluene, pubchem4896, acmc-209kfr, 1-bromomethyl-3-chloro-5-fluoro-benzene PubChem CID: 2734834 IUPAC Name: 1-(bromomethyl)-3-chloro-5-fluorobenzene SMILES: C1=C(C=C(C=C1F)Cl)CBr

Alfa Aesar™ 2-Chloro-6-nitro-4-(trifluoromethyl)aniline, 97%

CAS: 57729-79-0 Molecular Formula: C7H4ClF3N2O2 Molecular Weight (g/mol): 240.566 MDL Number: MFCD00042153 InChI Key: JLWRJMVXRUKFPA-UHFFFAOYSA-N Synonym: 2-chloro-6-nitro-4-trifluoromethyl aniline, 4-amino-3-chloro-5-nitrobenzotrifluoride, 6-chloro-2-nitro-4-trifluoromethyl phenylamine, pubchem2811, 2-chloro-4-trifluoromethyl-6-nitroaniline, 4-amino-3-chloro-5-nitro-benzotrifluoride, 2-chloranyl-6-nitro-4-trifluoromethyl aniline, 2-chloro-6-nitro-4-trifluoromethyl-phenylamine, 2-chloro-6-nitro-4-trifluoromethyl phenylamine PubChem CID: 2734081 IUPAC Name: 2-chloro-6-nitro-4-(trifluoromethyl)aniline SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)C(F)(F)F

Alfa Aesar™ 4-Fluorobenzoyl chloride, 98%

CAS: 403-43-0 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.556 MDL Number: MFCD00000684 InChI Key: CZKLEJHVLCMVQR-UHFFFAOYSA-N Synonym: benzoyl chloride, 4-fluoro, p-fluorobenzoyl chloride, benzoyl chloride, p-fluoro, p-fluorobenzoic acid chloride, 4-fluorobenzoylchloride, fluorobenzoyl 4-chloride, 4-fluorobenzoic acid chloride, p-fluorobenzoylchloride, p-fluorobenzoyl choride, 4-flurobenzoyl chloride PubChem CID: 67879 IUPAC Name: 4-fluorobenzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)F

4-Nitrophenylacetonitrile, 98%, ACROS Organics™

CAS: 555-21-5 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD00007372 InChI Key: PXNJGLAVKOXITN-UHFFFAOYSA-N Synonym: 4-nitrophenylacetonitrile, p-nitrophenylacetonitrile, benzeneacetonitrile, 4-nitro, 4-nitrobenzyl cyanide, 2-4-nitrophenyl acetonitrile, p-nitrobenzyl cyanide, p-nitrobenzylcyanide, 4-nitrobenzeneacetonitrile, acetonitrile, p-nitrophenyl, p-nitrophenyl acetonitrile PubChem CID: 68386 IUPAC Name: 2-(4-nitrophenyl)acetonitrile SMILES: C1=CC(=CC=C1CC#N)[N+](=O)[O-]

Alfa Aesar™ 2-Chloroethyl phenyl sulfone, 98%

CAS: 938-09-0 Molecular Formula: C8H9ClO2S Molecular Weight (g/mol): 204.668 MDL Number: MFCD00025047 InChI Key: NUJGORANFDSMOL-UHFFFAOYSA-N Synonym: 2-chloroethyl phenyl sulfone, 2-chloroethanesulfonyl benzene, 2-chloroethyl sulfonyl benzene, 2-chloroethylphenylsulfone, 2-chloroethylsulfonyl benzene, sulfone, 2-chloroethyl phenyl, 2-chloroethyl sulphonyl benzene, benzene, 2-chloroethyl sulfonyl, 2-chloroethylphenyl sulfone PubChem CID: 13646 IUPAC Name: 2-chloroethylsulfonylbenzene SMILES: C1=CC=C(C=C1)S(=O)(=O)CCCl

Alfa Aesar™ 3-Chloro-2-methylbenzonitrile, 97%

CAS: 54454-12-5 Molecular Formula: C8H6ClN Molecular Weight (g/mol): 151.593 MDL Number: MFCD00045598 InChI Key: FKFZTNLSUJCIMG-UHFFFAOYSA-N Synonym: 2-methyl-3-chlorobenzonitrile, pubchem23847, 3-chloro-o-tolunitrile, acmc-1aqtx, 6-chloro-2-cyanotoluene, 2-chloro-6-cyanotoluene, 2-methyl-3-chloro-benzonitrile, 3-chloro-2-methyl-benzonitrile, benzonitrile,3-chloro-2-methyl, benzonitrile, 3-chloro-2-methyl PubChem CID: 521508 IUPAC Name: 3-chloro-2-methylbenzonitrile SMILES: CC1=C(C=CC=C1Cl)C#N

Alfa Aesar™ 4-Bromobenzoic acid, 98+%

CAS: 586-76-5 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.019 MDL Number: MFCD00002529 InChI Key: TUXYZHVUPGXXQG-UHFFFAOYSA-N Synonym: p-bromobenzoic acid, benzoic acid, 4-bromo, p-carboxybromobenzene, benzoic acid, p-bromo, p-bromobenzenecarboxylic acid, 4-bromo-benzoic acid, 4-brom-benzoesaeure, 4-carboxybromobenzene, para bromo benzoic acid, 4bromo-benzoic acid PubChem CID: 11464 ChEBI: CHEBI:60698 IUPAC Name: 4-bromobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)Br

Alfa Aesar™ p-Toluenesulfonamide, 98+%

CAS: 70-55-3 Molecular Formula: C7H9NO2S Molecular Weight (g/mol): 171.214 MDL Number: MFCD00011692 InChI Key: LMYRWZFENFIFIT-UHFFFAOYSA-N Synonym: p-toluenesulfonamide, 4-toluenesulfonamide, tosylamide, p-tosylamide, benzenesulfonamide, 4-methyl, p-tolylsulfonamide, toluene-4-sulfonamide, tolylsulfonamide, 4-methylbenzene-1-sulfonamide, p-toluenesulfamide PubChem CID: 6269 ChEBI: CHEBI:34435 IUPAC Name: 4-methylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N

Alfa Aesar™ 3-Chloro-2-fluorobenzonitrile, 97%

CAS: 94087-40-8 Molecular Formula: C7H3ClFN Molecular Weight (g/mol): 155.556 MDL Number: MFCD00042206 InChI Key: CHKLNKWJIDQKFV-UHFFFAOYSA-N Synonym: 2-fluoro-3-chlorobenzonitrile, benzonitrile, 3-chloro-2-fluoro, pubchem1559, acmc-209rou, ksc493q6t, 3-chloro-2-fluoro-benzonitrile, buttpark 45\01-06, 3-chloro-2-fluorobenzenecarbonitrile, 3-chloro-2-fluorobenzonitrile PubChem CID: 523100 IUPAC Name: 3-chloro-2-fluorobenzonitrile SMILES: C1=CC(=C(C(=C1)Cl)F)C#N

Alfa Aesar™ 4-Amino-2,3,5,6-tetrafluorobenzoic acid, 98%

CAS: 944-43-4 Molecular Formula: C7H3F4NO2 Molecular Weight (g/mol): 209.1 MDL Number: MFCD00007647 InChI Key: WTNSXWSOTDBWOR-UHFFFAOYSA-N Synonym: 2,3,5,6-tetrafluoro-4-aminobenzoic acid, acmc-209rrw, 4-amino-2,3,5,6-tetrafluorobenzoicacid, 2,3,5,6-tetrafluoro-4-amino-benzoic acid, 4-amino-2,3,5,6-tetrafluoro-benzoic acid, benzoic acid,4-amino-2,3,5,6-tetrafluoro, benzoic acid, 4-amino-2,3,5,6-tetrafluoro, 4-amino-2,3,5,6-tetrafluorobenzoic acid PubChem CID: 70345 IUPAC Name: 4-amino-2,3,5,6-tetrafluorobenzoic acid SMILES: C1(=C(C(=C(C(=C1F)F)N)F)F)C(=O)O

Alfa Aesar™ Methyl thiosalicylate, 97%

CAS: 4892-02-8 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00060678 InChI Key: BAQGCWNPCFABAY-UHFFFAOYSA-N Synonym: methyl thiosalicylate, methyl 2-mercaptobenzoate, methyl o-mercaptobenzoate, usaf ma-15, benzoic acid, 2-mercapto-, methyl ester, methyl-o-mercaptobenzoate, methyl-2-mercaptobenzoate, benzoic acid, o-mercapto-, methyl ester, 2-methoxycarbonyl thiophenol, 2-mercaptobenzoic acid methyl ester PubChem CID: 21009 IUPAC Name: methyl 2-sulfanylbenzoate SMILES: COC(=O)C1=CC=CC=C1S

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