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

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-]

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-]

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™ 5-Amino-2-bromobenzoic acid, 95%

CAS: 2840-02-0 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD07368968 InChI Key: FEXDUVBQBNYSQV-UHFFFAOYSA-N Synonym: 5-amino-2-bromo-benzoic acid, 4-bromo-3-carboxyaniline, benzoic acid,5-amino-2-bromo, benzoic acid, 5-amino-2-bromo, pubchem4637, acmc-209h2e, 5-amino-2-bromobenzoicacid, 2-bromo-5-aminobenzoic acid, ksc561g5h, 5-amino-2-bromo benzoic acid PubChem CID: 2769624 IUPAC Name: 5-amino-2-bromobenzoic acid SMILES: C1=CC(=C(C=C1N)C(=O)O)Br

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

4-Fluorobenzyl bromide, 97%, ACROS Organics™

CAS: 459-46-1 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.03 MDL Number: MFCD00000359 InChI Key: NVNPLEPBDPJYRZ-UHFFFAOYSA-N Synonym: 4-fluorobenzyl bromide, 1-bromomethyl-4-fluorobenzene, p-fluorobenzyl bromide, 4-fluorobenzylbromide, benzene, 1-bromomethyl-4-fluoro, alpha-bromo-p-fluorotoluene, alpha-bromo-4-fluorotoluene, 1-bromomethyl-4-fluoro-benzene, 4-bromomethyl-1-fluorobenzene, para-fluorobenzyl bromide PubChem CID: 68021 IUPAC Name: 1-(bromomethyl)-4-fluorobenzene SMILES: C1=CC(=CC=C1CBr)F

Alfa Aesar™ Dichlorobis(tri-o-tolylphosphine)palladium(II), 98%

CAS: 40691-33-6 Molecular Formula: C42H42Cl2P2Pd-2 Molecular Weight (g/mol): 786.066 MDL Number: MFCD00274659 InChI Key: KFQYTZDYGOBBOE-UHFFFAOYSA-L Synonym: palladium,dichlorobis tris 2-methylphenyl phosphine PubChem CID: 90656943 IUPAC Name: palladium;tris(2-methylphenyl)phosphane;dichloride SMILES: CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C.CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C.[Cl-].[Cl-].[Pd]

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

Alfa Aesar™ 2,5-Dimethoxybenzoic acid, 98+%

CAS: 2785-98-0 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00002436 InChI Key: NYJBTJMNTNCTCP-UHFFFAOYSA-N Synonym: benzoic acid, 2,5-dimethoxy, 6-methoxy-m-anisic acid, 2,5-dimethoxy-benzoic acid, 2,5-dimethoxybenzoicacid, pubchem14413, acmc-1cit0, 2,5-dimethoxybenzoic acid PubChem CID: 76027 IUPAC Name: 2,5-dimethoxybenzoic acid SMILES: COC1=CC(=C(C=C1)OC)C(=O)O

Benzenesulfonyl bromide, 95%, ACROS Organics™

CAS: 2297-65-6 Molecular Formula: C6H5BrO2S Molecular Weight (g/mol): 221.07 InChI Key: CGWWQPZGKPHLBU-UHFFFAOYSA-N Synonym: phenylsulfonyl bromide PubChem CID: 11138664 IUPAC Name: benzenesulfonyl bromide SMILES: C1=CC=C(C=C1)S(=O)(=O)Br

Alfa Aesar™ 2-Bromo-6-chloro-4-(trifluoromethyl)aniline, 98%

CAS: 109919-26-8 Molecular Formula: C7H4BrClF3N Molecular Weight (g/mol): 274.465 MDL Number: MFCD00042180 InChI Key: OVJCOPVKCCJSFE-UHFFFAOYSA-N Synonym: 2-bromo-6-chloro-4-trifluoromethyl aniline, 4-amino-3-bromo-5-chlorobenzotrifluoride, buttpark 44\03-53, 2-bromo-6-chloro-4-trifluoromethyl phenylamine, pubchem2921, ksc498c4n, 2-bromo-6-chloro-4-trifluoromethyl benzenamine, benzenamine, 2-bromo-6-chloro-4-trifluoromethyl PubChem CID: 737196 IUPAC Name: 2-bromo-6-chloro-4-(trifluoromethyl)aniline SMILES: C1=C(C=C(C(=C1Cl)N)Br)C(F)(F)F

Alfa Aesar™ 4-Bromo-2-chloro-6-fluoroanisole, 97%

CAS: 261762-34-9 Molecular Formula: C7H5BrClFO Molecular Weight (g/mol): 239.468 MDL Number: MFCD01631477 InChI Key: IKWHDHGNXXVBHZ-UHFFFAOYSA-N Synonym: 4-bromo-2-chloro-6-fluoroanisole, 4-bromo-2-chloro-6-fluorophenyl methyl ether, benzene, 5-bromo-1-chloro-3-fluoro-2-methoxy, pubchem8360, 5-bromo-3-chloro-1-fluoro-2-methoxybenzene, 5-bromanyl-1-chloranyl-3-fluoranyl-2-methoxy-benzene PubChem CID: 2773260 IUPAC Name: 5-bromo-1-chloro-3-fluoro-2-methoxybenzene SMILES: COC1=C(C=C(C=C1F)Br)Cl

Alfa Aesar™ 3-Bromo-4-methylbenzoic acid, 98+%

CAS: 7697-26-9 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00002488 InChI Key: ZFJOMUKPDWNRFI-UHFFFAOYSA-N Synonym: 3-bromo-4-methylbenzoicacid, 3-bromo-p-toluic acid, benzoic acid, 3-bromo-4-methyl, 3-bromo-4-methyl-benzoic acid, bromo-p-toluic acid, pubchem3806, bromo-para-toluic acid, 3-bromo4-methylbenzoic acid, acmc-1bg95, akos bbb/219 PubChem CID: 82130 IUPAC Name: 3-bromo-4-methylbenzoic acid SMILES: CC1=C(C=C(C=C1)C(=O)O)Br

2-Methyl-2-phenylpropanenitrile, 97%, ACROS Organics™

CAS: 1195-98-8 Molecular Formula: C10H11N Molecular Weight (g/mol): 145.21 InChI Key: PGQTYXFMSZUGOW-UHFFFAOYSA-N Synonym: 2-methyl-2-phenyl-propionitrile, a-dimethyl, benzeneacetonitrile, alpha,alpha-dimethyl, phenylisobutyronitrile, 2-phenylisobutyronitrile, 2-methyl-2-phenylpropionitrile, 2-methyl-2-phenyl-propanenitrile, alpha,alpha-dimethylbenzyl cyanide, benzeneacetonitrile,a,a-dimethyl, alpha,alpha-dimethylphenylacetonitrile, benzeneacetonitrile,, a, PubChem CID: 2797591 IUPAC Name: 2-methyl-2-phenylpropanenitrile SMILES: CC(C)(C#N)C1=CC=CC=C1

p-Toluenesulfonyl isocyanate, 96%, ACROS Organics™

CAS: 4083-64-1 Molecular Formula: C8H7NO3S Molecular Weight (g/mol): 197.21 MDL Number: MFCD00002030 InChI Key: VLJQDHDVZJXNQL-UHFFFAOYSA-N Synonym: tosyl isocyanate, p-toluenesulfonyl isocyanate, 4-methylbenzenesulfonyl isocyanate, p-toluenesulphonyl isocyanate, benzenesulfonyl isocyanate, 4-methyl, tosylisocyanate, p-tolylsulfonyl isocyanate, unii-h9004fjx6v, p-toluenesulfonic acid, anhydride with isocyanic acid, p-toluene sulfonyl isocyanate PubChem CID: 77703 IUPAC Name: 4-methyl-N-(oxomethylidene)benzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=C=O

Alfa Aesar™ 2-Methyl-4-nitrobenzoic acid, 97%

CAS: 1975-51-5 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00210697 InChI Key: XXXOBNJIIZQSPT-UHFFFAOYSA-N Synonym: 2-methyl-4-nitrobenzoic acid, 4-nitro-o-toluic acid, 2-methyl-4-nitro-benzoic acid, 2-methyl-4-nitrobenzoicacid, 4-nitro-2-methylbenzoic acid, benzoic acid, 2-methyl-4-nitro, pubchem8363, acmc-1bsab, 2-carboxy-5-nitrotoluene, 2-methyl4-nitrobenzoic acid PubChem CID: 74790 SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O

Amberlite™ IR120, H form, ion-exchange resin, ACROS Organics™

CAS: 78922-04-0 Molecular Formula: C13H10ClNO4S Molecular Weight (g/mol): 311.736 MDL Number: MFCD00132707 InChI Key: APBOVLPLJFJSRI-UHFFFAOYSA-N Synonym: 3-3-chlorophenylsulfonamido benzoic acid, 3-3-chloro-benzenesulfonylamino-benzoic acid, 3-3-chlorophenyl sulfonyl amino benzoic acid, benzoicacid, 3-3-chlorophenyl sulfonyl amino, 3-3-chlorobenzenesulfonamido benzoic acid, amberlite ir-120, 3-3-chlorophenyl sulfonylamino benzoic acid, 3-3-chlorophenyl sulfonamido benzoic acid PubChem CID: 8190984 IUPAC Name: 3-[(3-chlorophenyl)sulfonylamino]benzoic acid SMILES: C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=CC=C2)Cl)C(=O)O

Alfa Aesar™ 2,5-Difluorobenzyl chloride, 97%

CAS: 495-07-8 Molecular Formula: C7H5ClF2 Molecular Weight (g/mol): 162.564 MDL Number: MFCD01090989 InChI Key: INXKTZMJFPRVAY-UHFFFAOYSA-N Synonym: 2,5-difluorobenzyl chloride, 2-chloromethyl-1,4-difluorobenzene, 2,5-difluorobenzylchloride, alpha-chloro-2,5-difluorotoluene, benzene, 2-chloromethyl-1,4-difluoro, 2-chloromethyl-1,4-bis fluoranyl benzene, 2-chloromethyl-1,4-difluoro-benzene, acmc-1an3f, ksc591g4f PubChem CID: 2736950 IUPAC Name: 2-(chloromethyl)-1,4-difluorobenzene SMILES: C1=CC(=C(C=C1F)CCl)F

Alfa Aesar™ 6-Chloro-2,3-difluorobenzamide, 97%

CAS: 1373920-98-9 Molecular Formula: C7H4ClF2NO Molecular Weight (g/mol): 191.562 MDL Number: MFCD22201031 InChI Key: RHWJPOYPLMCHEU-UHFFFAOYSA-N PubChem CID: 18471691 IUPAC Name: 6-chloro-2,3-difluorobenzamide SMILES: C1=CC(=C(C(=C1F)F)C(=O)N)Cl

Alfa Aesar™ 2,4-Dimethoxybenzylamine, 98%

CAS: 20781-20-8 Molecular Formula: C9H13NO2 Molecular Weight (g/mol): 167.208 MDL Number: MFCD00052393 InChI Key: QOWBXWFYRXSBAS-UHFFFAOYSA-N Synonym: 2,4-dimethoxybenzylamine, 2,4-dimethoxyphenyl methanamine, 2,4-dimethoxy benzylamine, 1-2,4-dimethoxyphenyl methanamine, benzenemethanamine, 2,4-dimethoxy, 2,4-dimethoxybenzyl amine, 2,4-dimethoxyphenyl methylamine, 2, 4-dimethoxybenzylamine, pubchem7398, 2,4dimethoxybenzylamine PubChem CID: 597250 IUPAC Name: (2,4-dimethoxyphenyl)methanamine SMILES: COC1=CC(=C(C=C1)CN)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

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