Benzene and substituted derivatives
4-Bromo-3-methylbenzoic acid, 97%
CAS: 7697-28-1 Molecular Formula: C8H6BrO2 Molecular Weight (g/mol): 214.04 MDL Number: MFCD00039526 InChI Key: KWVXDZLVCISXIB-UHFFFAOYSA-M Synonym: 4-bromo-m-toluic acid,4-bromo-3-methyl-benzoic acid,4-bromo-3-methylbenzoicacid,3-methyl-4-bromobenzoic acid,4-bromo-3-methyl benzoic acid,benzoic acid, 4-bromo-3-methyl,pubchem3807,4bromo-3-methylbenzoic acid,4-bromo-5-methylbenzoic acid,ksc379g0b PubChem CID: 82131 IUPAC Name: 4-bromo-3-methylbenzoic acid SMILES: CC1=CC(=CC=C1Br)C([O-])=O
5-Carbamoyl-2-fluorobenzeneboronic acid pinacol ester, 96%, Thermo Scientific™
CAS: 1412905-42-0 Molecular Formula: C13H17BFNO3 Molecular Weight (g/mol): 265.09 MDL Number: MFCD18730404 InChI Key: RBEAFMIZDXOHAT-UHFFFAOYSA-N Synonym: 4-fluoro-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzamide,5-carbamoyl-2-fluorobenzeneboronic acid pinacol ester PubChem CID: 99738340 IUPAC Name: 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide SMILES: CC1(C)OB(OC1(C)C)C1=C(F)C=CC(=C1)C(N)=O
Methyl 4-bromo-3-methylbenzoate, 95%
CAS: 148547-19-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 InChI Key: GTZTYNPAPQKIIR-UHFFFAOYSA-N Synonym: 4-bromo-3-methylbenzoic acid methyl ester,methyl4-bromo-3-methylbenzoate,methyl 4-bromo-m-toluate,4-bromo-3-methyl-benzoic acid methyl ester,methyl 4-bromo-3-methyl-benzoate,4-bromo-m-toluic acid methyl ester,benzoic acid, 4-bromo-3-methyl-, methyl ester,2-bromo-5-methoxycarbonyl toluene,3-methyl-4-bromobenzoic acid methyl ester,pubchem3970 PubChem CID: 3294148 IUPAC Name: methyl 4-bromo-3-methylbenzoate SMILES: CC1=C(C=CC(=C1)C(=O)OC)Br
2-Bromo-5-methylbenzoic acid, 98%
CAS: 6967-82-4 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00079722 InChI Key: ZXMISUUIYPFORW-UHFFFAOYSA-N Synonym: 2-bromo-5-methyl-benzoic acid,6-bromo-m-toluic acid,2-bromo-5-methyl benzoic acid,benzoic acid, 2-bromo-5-methyl,4-bromo-3-carboxytoluene,pubchem2166,acmc-1b7tl,ksc357q9r,2-bromanyl-5-methyl-benzoic acid,2-bromo-5-methylbenzoic acid PubChem CID: 228080 IUPAC Name: 2-bromo-5-methylbenzoic acid SMILES: CC1=CC(=C(C=C1)Br)C(=O)O
Methyl 2-bromo-3-methylbenzoate, 98%
CAS: 131001-86-0 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00144762 InChI Key: QAOFGUXVDAZKBW-UHFFFAOYSA-N Synonym: 2-bromo-3-methyl-benzoic acid methyl ester,methyl2-bromo-3-methylbenzoate,benzoic acid, 2-bromo-3-methyl-, methyl ester,2-bromo-3-methylbenzoic acid methyl ester,methyl 2-bromo-3-methyl-benzoate,pubchem3966,acmc-1c3gk,methyl 2-bromo-m-toluate,intermediates-zcf02010,ksc495c9h PubChem CID: 10823279 IUPAC Name: methyl 2-bromo-3-methylbenzoate SMILES: COC(=O)C1=C(Br)C(C)=CC=C1
2,4,6-Trichlorobenzoic acid, 94%
CAS: 50-43-1 Molecular Formula: C7H3Cl3O2 Molecular Weight (g/mol): 225.449 MDL Number: MFCD00060699 InChI Key: RAFFVQBMVYYTQS-UHFFFAOYSA-N Synonym: benzoic acid, 2,4,6-trichloro,unii-0bwg1hx6ck,2,4,6-trichlorobenzoicacid,2,4,6-trichloro-benzoic acid,0bwg1hx6ck,2,4,6-trichlorbenzoes,pubchem18496,acmc-209kme,2,4,6-trichlorobbenzoicacid,ksc270e7f PubChem CID: 5764 IUPAC Name: 2,4,6-trichlorobenzoic acid SMILES: C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl
4-Fluorophenylsulfonylacetonitrile, 97%
CAS: 32083-66-2 Molecular Formula: C8H6FNO2S Molecular Weight (g/mol): 199.199 MDL Number: MFCD00179339 InChI Key: WBXJZTLPEMITJL-UHFFFAOYSA-N Synonym: 4-fluorobenzenesulfonyl acetonitrile,2-4-fluorophenyl sulfonyl acetonitrile,4-fluorobenzenesulphonyl acetonitrile,4-fluorophenyl sulfonyl acetonitrile,2-4-fluorobenzenesulfonyl acetonitrile,4-fluorophenylsulfonylacetonitrile,4-fluorobenzenesulfonylacetonitrile,2-4-fluorophenyl sulfonylacetonitrile,4-fluorophenylsulfonyl acetonitrile PubChem CID: 565732 IUPAC Name: 2-(4-fluorophenyl)sulfonylacetonitrile SMILES: C1=CC(=CC=C1F)S(=O)(=O)CC#N
4-Bromophenyl methyl sulfone, 98+%
CAS: 3466-32-8 Molecular Formula: C7H7BrO2S Molecular Weight (g/mol): 235.095 MDL Number: MFCD00025065 InChI Key: FJLFSYRGFJDJMQ-UHFFFAOYSA-N Synonym: 4-bromophenyl methyl sulfone,1-bromo-4-methylsulfonyl benzene,1-bromo-4-methanesulfonylbenzene,p-bromophenyl methyl sulfone,methyl 4-bromophenyl sulfone,4-bromophenyl methyl sulphone,benzene, 1-bromo-4-methylsulfonyl,4-bromophenylmethylsulfone,p-methyl benzenesulfobromide,sulfone, p-bromophenyl methyl PubChem CID: 77014 IUPAC Name: 1-bromo-4-methylsulfonylbenzene SMILES: CS(=O)(=O)C1=CC=C(C=C1)Br
4-(Methylsulfonyl)phenol, 95%, Thermo Scientific™
CAS: 14763-60-1 Molecular Formula: C7H8O3S Molecular Weight (g/mol): 172.20 MDL Number: MFCD00047806 InChI Key: KECCFSZFXLAGJS-UHFFFAOYSA-N Synonym: 4-methylsulfonyl phenol,4-methanesulfonylphenol,4-methanesulfonyl-phenol,4-hydroxyphenyl methyl sulfone,4-methylsulphonylphenol,phenol, p-methylsulfonyl,phenol, 4-methylsulfonyl,p-hydroxyphenyl methyl sulfone,p-methylsulfonyl phenol,unii-f7bif7zqj9 PubChem CID: 123350 IUPAC Name: 4-methylsulfonylphenol SMILES: CS(=O)(=O)C1=CC=C(O)C=C1
Phenyl trans-beta-styryl sulfone, 96%
CAS: 16212-06-9 Molecular Formula: C14H12O2S Molecular Weight (g/mol): 244.308 MDL Number: MFCD00159177 InChI Key: DNMCCXFLTURVLK-VAWYXSNFSA-N Synonym: phenyl trans-styryl sulfone,phenyl styryl sulfone,sulfone, phenyl styryl,phenyl trans-styryl sulphone,phenyl 2-phenylvinyl sulfone,benzene, 2-phenylethenyl sulfonyl,e-2-benzenesulfonyl ethenyl benzene,1e-2-phenylvinyl sulfonyl benzene,styrylsulfonylbenzene,e-2-phenylethenyl sulphonylbenzene PubChem CID: 736143 IUPAC Name: [(E)-2-(benzenesulfonyl)ethenyl]benzene SMILES: C1=CC=C(C=C1)C=CS(=O)(=O)C2=CC=CC=C2
Chloromethyl phenyl sulfone, 99%
CAS: 7205-98-3 Molecular Formula: C7H7ClO2S Molecular Weight (g/mol): 190.65 MDL Number: MFCD00007551 InChI Key: NXAIQSVCXQZNRY-UHFFFAOYSA-N Synonym: chloromethyl phenyl sulfone,chloromethyl sulfonyl benzene,phenyl chloromethyl sulfone,chloromethylphenylsulfone,benzene, chloromethyl sulfonyl,chloromethylphenyl sulfone,1-chloromethylsulfonyl benzene,chloromethyl sulphonyl benzene PubChem CID: 81625 IUPAC Name: chloromethylsulfonylbenzene SMILES: C1=CC=C(C=C1)S(=O)(=O)CCl
MilliporeSigma™ 5,5'-Dithio-bis-(2-nitrobenzoic Acid), Calbiochem™,
CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 MDL Number: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid PubChem CID: 6254 ChEBI: CHEBI:86228 IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
3-Nitrophthalic acid, 95%
CAS: 603-11-2 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.13 InChI Key: KFIRODWJCYBBHY-UHFFFAOYSA-N Synonym: 3-nitrophthalic acid,3-nitrobenzene-1,2-dicarboxylic acid,phthalic acid, 3-nitro,1,2-benzenedicarboxylic acid, 3-nitro,3-nitro phthalic acid,3-nitro-phthalic acid,3-nitrophthalicacid,nitrophthalic acid,3-nitrophtalic acid,m-nitrophthalic acid PubChem CID: 69043 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O
Methyl 3-hydroxy-4-nitrobenzoate, 98%
CAS: 713-52-0 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00016997 InChI Key: UEGCRFNWTGYVKX-UHFFFAOYSA-N Synonym: benzoic acid, 3-hydroxy-4-nitro-, methyl ester,3-hydroxy-4-nitrobenzoic acid methyl ester,3-hydroxy-4-nitro-benzoic acid methyl ester,methyl 3-hydroxy-4-nitro-benzoate,methyl3-hydroxy-4-nitrobenzoate,pubchem20121,acmc-209oia,ksc379e5n,5-methoxycarbonyl-2-nitrophenol,methyl3-hydroxy-4-nitronemzoate PubChem CID: 294866 IUPAC Name: methyl 3-hydroxy-4-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O
Ethyl 3-nitrobenzoate, 98+%
CAS: 618-98-4 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00014702 InChI Key: MKBIJCPQTPFQKQ-UHFFFAOYSA-N Synonym: ethyl m-nitrobenzoate,benzoic acid, 3-nitro-, ethyl ester,ethyl-m-nitrobenzoate,m-nitrobenzoic acid, ethyl ester,benzoic acid, m-nitro-, ethyl ester,acmc-20akzc,3-nitrobenzoic acid ethyl,benzoic acid, 3-nitro-,ethyl ester,benzoic acid, m-nitro-, ethyl ester 8ci,r---2-2-diphenylphosphino phenyl-4-phenyl-2-oxazoline PubChem CID: 69261 IUPAC Name: ethyl 3-nitrobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)[N+](=O)[O-]