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

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

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

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™ 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

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, 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

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™ 4-Fluoro-3-iodobenzoic acid, 97%

CAS: 403-18-9 Molecular Formula: C7H4FIO2 Molecular Weight (g/mol): 266.01 MDL Number: MFCD03788556 InChI Key: IKSOHJRYPQRTLQ-UHFFFAOYSA-N Synonym: benzoic acid, 4-fluoro-3-iodo, 3-iodo-4-fluorobenzoic acid, 4-fluoro-3-iodo-benzoic acid, pubchem1390, buttpark 122, buttpark 122\01-04 PubChem CID: 10361 IUPAC Name: 4-fluoro-3-iodobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)I)F

Alfa Aesar™ 4-Ethoxy-2-fluorobenzamide, 97%

CAS: 1206593-31-8 Molecular Formula: C9H10FNO2 Molecular Weight (g/mol): 183.182 MDL Number: MFCD13196592 InChI Key: ZSPVCLBFKSZFIP-UHFFFAOYSA-N PubChem CID: 57361365 IUPAC Name: 4-ethoxy-2-fluorobenzamide SMILES: CCOC1=CC(=C(C=C1)C(=O)N)F

2,2'-Bis(trifluoromethyl)benzidine, 97%, ACROS Organics™

CAS: 341-58-2 Molecular Formula: C14H10F6N2 Molecular Weight (g/mol): 320.24 InChI Key: NVKGJHAQGWCWDI-UHFFFAOYSA-N Synonym: 2,2'-bis trifluoromethyl benzidine, 2,2'-bis trifluoromethyl-1,1'-biphenyl-4,4'-diamine, 4-4-amino-2-trifluoromethyl phenyl-3-trifluoromethyl aniline, 2,2'-bis trifluoromethyl-4,4'-diaminobiphenyl, 2,2'-bis-trifluoromethyl-biphenyl-4,4'-diamine, tfmb, 2,2'-bis trifluoromethyl-4,4'-biphenyldiamine, 4,4'-diamino-2,2'-bis trifluoromethyl biphenyl, 1,1'-biphenyl-4,4'-diamine, 2,2'-bis trifluoromethyl, 4-4-azanyl-2-trifluoromethyl phenyl-3-trifluoromethyl aniline PubChem CID: 629349 IUPAC Name: 4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline SMILES: C1=CC(=C(C=C1N)C(F)(F)F)C2=C(C=C(C=C2)N)C(F)(F)F

Alfa Aesar™ 3-Bromobiphenyl, 99%

CAS: 2113-57-7 Molecular Formula: C12H9Br Molecular Weight (g/mol): 233.108 MDL Number: MFCD00000082 InChI Key: USYQKCQEVBFJRP-UHFFFAOYSA-N Synonym: 3-bromobiphenyl, 3-bromo-1,1'-biphenyl, 1,1'-biphenyl, 3-bromo, 3-bromo-biphenyl, m-bromobiphenyl, biphenyl, 3-bromo, 3-bromodiphenyl, unii-o7i53k56s8, ccris 5889, 3-brombiphenyl PubChem CID: 16449 IUPAC Name: 1-bromo-3-phenylbenzene SMILES: C1=CC=C(C=C1)C2=CC(=CC=C2)Br

Alfa Aesar™ 4-Amino-3-iodobenzonitrile, 97%

CAS: 33348-34-4 Molecular Formula: C7H5IN2 Molecular Weight (g/mol): 244.035 MDL Number: MFCD04039964 InChI Key: UOWVTQFTEAYDLM-UHFFFAOYSA-N Synonym: 4-cyano-2-iodoaniline, 1-amino-2-iodo-4-cyanobenzene, benzonitrile, 4-amino-3-iodo, 4-amino-2-iodobenzonitrile 98, 4-amino-3-iodobenzenecarbonitrile, 2-iodo-4-cyanoaniline, 4-cyano-6-iodoaniline, pubchem18486, acmc-20a6lw, 3-iodo-4-aminobenzonitrile PubChem CID: 4416395 IUPAC Name: 4-amino-3-iodobenzonitrile SMILES: C1=CC(=C(C=C1C#N)I)N

Alfa Aesar™ m-Anisidine, 98%

CAS: 536-90-3 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 MDL Number: MFCD00007783 InChI Key: NCBZRJODKRCREW-UHFFFAOYSA-N Synonym: m-anisidine, 3-aminoanisole, m-methoxyaniline, 3-methoxybenzenamine, 3-anisidine, m-aminoanisole, benzenamine, 3-methoxy, m-anisylamine, 1-amino-3-methoxybenzene, unii-jxa144kx2i PubChem CID: 10824 IUPAC Name: 3-methoxyaniline SMILES: COC1=CC=CC(=C1)N

Alfa Aesar™ 1-Bromo-3-(trifluoromethoxy)benzene, 98+%

CAS: 2252-44-0 Molecular Formula: C7H4BrF3O Molecular Weight (g/mol): 241.007 MDL Number: MFCD00040943 InChI Key: WVUDHWBCPSXAFN-UHFFFAOYSA-N Synonym: 1-bromo-3-trifluoromethoxy benzene, 3-trifluoromethoxy bromobenzene, 3-bromo trifluoromethoxy benzene, m-bromo trifluoromethoxy benzene, 3-bromo-1-trifluoromethoxy benzene, benzene, 1-bromo-3-trifluoromethoxy, 3-bromo-alpha,alpha,alpha-trifluoroanisole, bromo-3-trifluoromethoxy benzene, buttpark 91\57-27, 1-bromo-3-trifluoromethoxy-benzene PubChem CID: 519964 IUPAC Name: 1-bromo-3-(trifluoromethoxy)benzene SMILES: C1=CC(=CC(=C1)Br)OC(F)(F)F

Alfa Aesar™ 2,4,6-Trifluorobenzaldehyde, 97%

CAS: 58551-83-0 Molecular Formula: C7H3F3O Molecular Weight (g/mol): 160.095 MDL Number: MFCD00061197 InChI Key: KPJIEPBITZLHPQ-UHFFFAOYSA-N Synonym: benzaldehyde, 2,4,6-trifluoro, 2,4,6-ttrifluorobenzaldehyde, pubchem1416, acmc-209m5d, 2,4,6 trifluorobenzaldehyde, ksc272c8l, 2,4,6-trifluoro benzaldehyde, 2,4,6-trifluoro-benzaldehyde PubChem CID: 521845 IUPAC Name: 2,4,6-trifluorobenzaldehyde SMILES: C1=C(C=C(C(=C1F)C=O)F)F

Econazole, 99%, ACROS Organics™

CAS: 27220-47-9 Molecular Formula: C18H15Cl3N2O Molecular Weight (g/mol): 381.68 InChI Key: LEZWWPYKPKIXLL-UHFFFAOYSA-N Synonym: econazole, ecostatin, econazolum, pevaryl, gyno-pevaryl, econazol, palavale, spectazole, +--econazole, ecostatin cream PubChem CID: 3198 ChEBI: CHEBI:82873 IUPAC Name: 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole SMILES: C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl

Alfa Aesar™ 4-Bromo-N,N,2,6-tetramethylaniline, 98%

CAS: 50638-54-5 Molecular Formula: C10H14BrN Molecular Weight (g/mol): 228.133 MDL Number: MFCD00100113 InChI Key: NDDKEDQKCHIHMI-UHFFFAOYSA-N Synonym: n1,n1,2,6-tetramethyl-4-bromoaniline, n-4-bromo-2,6-dimethylphenyl-n,n-dimethylamine, n,n,2,6-tetramethylaniline, 4-bromo, 4-bromo-2,6-dimethylphenyl dimethylamine, pubchem5369, acmc-20ak7q, n,n,2,6-tetramethylaniline,4-bromo, 4-bromanyl-n,n,2,6-tetramethyl-aniline, 4-bromo-n,n-dimethyl-2,6-xylidine, benzenamine,4-bromo-n,n,2,6-tetramethyl PubChem CID: 142731 IUPAC Name: 4-bromo-N,N,2,6-tetramethylaniline SMILES: CC1=CC(=CC(=C1N(C)C)C)Br

Alfa Aesar™ 4'-n-Hexylbiphenyl-4-carboxylic acid, 99%

CAS: 59662-48-5 Molecular Formula: C19H22O2 Molecular Weight (g/mol): 282.383 MDL Number: MFCD00143232 InChI Key: ROJCBWVSXWIGAL-UHFFFAOYSA-N Synonym: 4-4-hexylphenyl benzoic acid, 4-hexyl-4'-biphenylcarboxylic acid, 4-hexyl-4'-carboxybiphenyl, 4-n-hexylbiphenyl-4'-carboxylic acid, 4'-hexyl-1,1'-biphenyl-4-carboxylic acid, pubchem9069, acmc-209mez, 4'-hexylbiphenyl-4-carboxylic acid, 4-hexylbiphenyl-4'-carboxylic acid, 4'-hexyl-biphenyl-4-carboxylic acid PubChem CID: 13554588 IUPAC Name: 4-(4-hexylphenyl)benzoic acid SMILES: CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

1,3-Dibromobenzene, 97+%, Alfa Aesar™

CAS: 108-36-1 Molecular Formula: C6H4Br2 Molecular Weight (g/mol): 235.906 MDL Number: MFCD00000078 InChI Key: JSRLURSZEMLAFO-UHFFFAOYSA-N Synonym: m-dibromobenzene, benzene, 1,3-dibromo, benzene, m-dibromo, unii-74ef6kh8tc, 1,3-dibromo-benzene, 74ef6kh8tc, 1,3-dibromo benzene, 3,5-dibromobenzene, 1,3-dibrormobenzene, 1, 3-dibromobenzene PubChem CID: 7927 ChEBI: CHEBI:37151 IUPAC Name: 1,3-dibromobenzene SMILES: C1=CC(=CC(=C1)Br)Br

5-[2-(Bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole, 97%, Maybridge™

CAS: 892501-91-6 Molecular Formula: C10H9BrN2O Molecular Weight (g/mol): 253.099 MDL Number: MFCD09064955 InChI Key: GTXIOLDSSMKRDR-UHFFFAOYSA-N Synonym: 5-2-bromomethyl phenyl-3-methyl-1,2,4-oxadiazole, 5-2-bromomethyl phenyl-3-methyl-1,2,4-oxadiazol, 1,2,4-oxadiazole, 5-2-bromomethyl phenyl-3-methyl, 2-3-methyl-1,2,4-oxadiazol-5-yl benzyl bromide, pubchem23328, 1,2,4-oxadiazole,5-2-bromomethyl phenyl-3-methyl PubChem CID: 24229503 IUPAC Name: 5-[2-(bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole SMILES: CC1=NOC(=N1)C2=CC=CC=C2CBr

Alfa Aesar™ 1,2,3,4-Tetrafluorobenzene, 99+%

CAS: 551-62-2 Molecular Formula: C6H2F4 Molecular Weight (g/mol): 150.076 MDL Number: MFCD00000285 InChI Key: SOZFIIXUNAKEJP-UHFFFAOYSA-N Synonym: tetrafluorobenzene, 1,2,3,4-tetrafluoro-benzene, unii-66365s2rfq, benzene, 1,2,3,4-tetrafluoro, 2,3,4,5-tetrafluorobenzene, benzene, tetrafluoro, pubchem1061, acmc-1ao1z, 1,3,4-tetrafluorobenzene PubChem CID: 11084 IUPAC Name: 1,2,3,4-tetrafluorobenzene SMILES: C1=CC(=C(C(=C1F)F)F)F

Alfa Aesar™ trans,trans-4-(3,4-Difluorophenyl)-4'-n-propylbicyclohexyl, 97%

CAS: 82832-57-3 Molecular Formula: C21H30F2 Molecular Weight (g/mol): 320.468 MDL Number: MFCD09838997 InChI Key: FSWZOZXLWVWJAH-UHFFFAOYSA-N Synonym: trans,trans-4-3,4-difluorophenyl-4'-propyl-1,1'-bi cyclohexane, 1,2-difluoro-4-4-4-propylcyclohexyl cyclohexyl benzene, trans,trans-4-3,4-difluorophenyl-4-propylbicyclohexyl, trans,trans-4-3,4-difluorophenyl-4'-propyl-bicyclohexyl, 4-3,4-difluoro-phenyl-4'-propyl-bicyclohexyl, 4-3,4-difluorophenyl-4'-propyl-1,1'-bi cyclohexyl, trans,trans-4-3,4-difluorophenyl-4'-n-propylbicyclohexyl, benzene, 1,2-difluoro-4-trans,trans-4'-propyl 1,1'-bicyclohexyl-4-yl, 4-3,4-difluorophenyl-4'-propyl-1,1'-bi cyclohexane, 4-3,4-difluorophenyl-4'-propyl-bicyclohexyl PubChem CID: 581325 IUPAC Name: 1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene SMILES: CCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)F)F

Alfa Aesar™ 2-Bromoaniline, 98%

CAS: 615-36-1 Molecular Formula: C6H6BrN Molecular Weight (g/mol): 172.025 MDL Number: MFCD00007632 InChI Key: AOPBDRUWRLBSDB-UHFFFAOYSA-N Synonym: o-bromoaniline, benzenamine, 2-bromo, o-aminobromobenzene, aniline, o-bromo, 2-bromobenzenamine, bromoaniline 2-, 2-bromo aniline, 2-bromophenylamine, benzenamine,2-bromo, 2-bromioaniline PubChem CID: 11992 IUPAC Name: 2-bromoaniline SMILES: C1=CC=C(C(=C1)N)Br

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