Benzene and substituted derivatives
Gliclazide
CAS: 21187-98-4 Molecular Formula: C15H21N3O3S Molecular Weight (g/mol): 323.41 MDL Number: MFCD00409893 InChI Key: BOVGTQGAOIONJV-UHFFFAOYNA-N Synonym: gliclazide,glimicron,diamicron,nordialex,diaikron,gliclazida,gliklazid,glyclazide,gliclazidum inn-latin,gliclazida inn-spanish PubChem CID: 3475 ChEBI: CHEBI:31654 IUPAC Name: 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-methylphenyl)sulfonylurea SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CC2CCCC2C1
4-tert-Butyltoluene, 96%
CAS: 98-51-1 Molecular Formula: C11H16 Molecular Weight (g/mol): 148.25 MDL Number: MFCD00008837 InChI Key: QCWXDVFBZVHKLV-UHFFFAOYSA-N Synonym: 4-tert-butyltoluene,p-tert-butyltoluene,1-tert-butyl-4-methylbenzene,p-t-butyltoluene,benzene, 1-1,1-dimethylethyl-4-methyl,4-t-butyltoluene,p-methyl-tert-butylbenzene,toluene, p-tert-butyl,1-methyl-4-tert-butylbenzene,4-methyl-tert-butylbenzene PubChem CID: 7390 IUPAC Name: 1-tert-butyl-4-methylbenzene SMILES: CC1=CC=C(C=C1)C(C)(C)C
2-Chlorobenzoyl chloride, 98%
CAS: 609-65-4 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.01 MDL Number: MFCD00000660 InChI Key: ONIKNECPXCLUHT-UHFFFAOYSA-N Synonym: benzoyl chloride, 2-chloro,o-chlorobenzoyl chloride,chlorobenzoyl chloride,benzoyl chloride, o-chloro,ococ,2-chloro-benzoyl chloride,unii-jr29a4n74x,o-chlorobenzoylchloride,2-chlorobenzoylchloride,2-chlorobenzoic acid chloride PubChem CID: 69110 ChEBI: CHEBI:60719 IUPAC Name: 2-chlorobenzoyl chloride SMILES: ClC(=O)C1=CC=CC=C1Cl
5-Methoxy-2-nitrobenzoic acid, 97%
CAS: 1882-69-5 Molecular Formula: C8H6NO5 Molecular Weight (g/mol): 196.14 MDL Number: MFCD00151836 InChI Key: URADKXVAIGMTEG-UHFFFAOYSA-M Synonym: 5-methoxy-2-nitrobenzoic acid,2-nitro-5-methoxybenzoic acid,6-nitro-m-anisic acid,5-methoxy-2-nitro-benzoic acid,benzoic acid, 5-methoxy-2-nitro,pubchem4229,acmc-1brd6,2-nitro-5-methoxybenzoate,2-nitro-5-methoxybenzoicacid,5-methoxy-2-nitrobenzoicacid PubChem CID: 339209 IUPAC Name: 5-methoxy-2-nitrobenzoate SMILES: COC1=CC=C(C(=C1)C([O-])=O)[N+]([O-])=O
Tolbutamide, 98%
CAS: 64-77-7 Molecular Formula: C12H18N2O3S Molecular Weight (g/mol): 270.347 MDL Number: MFCD00027169 InChI Key: JLRGJRBPOGGCBT-UHFFFAOYSA-N Synonym: tolbutamide,orinase,1-butyl-3-tosylurea,tolbutamid,aglicid,arkozal,artosin,diabetol,dolipol,rastinon PubChem CID: 5505 ChEBI: CHEBI:27999 IUPAC Name: 1-butyl-3-(4-methylphenyl)sulfonylurea SMILES: CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C
2,5-Bis(trifluoromethyl)benzoic acid, 98%
CAS: 42580-42-7 Molecular Formula: C9H4F6O2 Molecular Weight (g/mol): 258.119 MDL Number: MFCD00013249 InChI Key: PINBPLCVZSKLTF-UHFFFAOYSA-N PubChem CID: 736187 ChEBI: CHEBI:60697 IUPAC Name: 2,5-bis(trifluoromethyl)benzoic acid SMILES: C1=CC(=C(C=C1C(F)(F)F)C(=O)O)C(F)(F)F
trans-4-(4-n-Pentylcyclohexyl)benzoic acid, 99%
CAS: 65355-30-8 Molecular Formula: C18H26O2 Molecular Weight (g/mol): 274.404 MDL Number: MFCD06208360 InChI Key: YXKKMVGGPRVHIL-UHFFFAOYSA-N Synonym: 4-4-pentylcyclohexyl benzoic acid,4-trans-4-n-pentylcyclohexyl benzoic acid,4-trans-4-pentylcyclohexyl benzoic acid,4-1s,4r-4-pentylcyclohexyl benzoic acid,4-pentyl-cyclohexyl benzoic acid,4-pentyl cyclohexyl benzoic acid,yxkkmvggprvhil-shtzxodssa-n,4-4-pentyl-cyclohexyl-benzoic acid,4-trans-4-amylcyclohexyl benzoic acid PubChem CID: 3104716 IUPAC Name: 4-(4-pentylcyclohexyl)benzoic acid SMILES: CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)O
N-Phenylbis(trifluoromethanesulfonimide), 99%
CAS: 37595-74-7 Molecular Formula: C8H5F6NO4S2 Molecular Weight (g/mol): 357.241 MDL Number: MFCD00000404 InChI Key: DIOHEXPTUTVCNX-UHFFFAOYSA-N Synonym: n,n-bis trifluoromethylsulfonyl aniline,phenyl triflimide,n-phenyl-bis trifluoromethanesulfonimide,n-phenyltrifluoromethanesulfonimide,n,n-bis-trifluoromethanesulfonyl aniline,1,1,1-trifluoro-n-phenyl-n-trifluoromethylsulfonyl methanesulfonamide,n-phenylbis trifluoromethanesulfonimide,n-phenylbis trifluoromethanesulphonimide,1,1,1-trifluoro-n-phenyl-n-trifluoromethyl sulfonyl methanesulfonamide,n,n-bis trifluoromethanesulfonyl aniline PubChem CID: 142176 IUPAC Name: 1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide SMILES: C1=CC=C(C=C1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
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
4-Fluorostyrene, 97%, stabilized
CAS: 405-99-2 Molecular Formula: C8H7F Molecular Weight (g/mol): 122.14 MDL Number: MFCD00000361 InChI Key: JWVTWJNGILGLAT-UHFFFAOYSA-N Synonym: 4-fluorostyrene,1-fluoro-4-vinylbenzene,p-fluorostyrene,benzene, 1-ethenyl-4-fluoro,styrene, p-fluoro,para-fluorostyrene,1-fluoro-4-vinyl-benzene,4-fluoro-styrene,acmc-1cszp PubChem CID: 67883 IUPAC Name: 1-ethenyl-4-fluorobenzene SMILES: C=CC1=CC=C(C=C1)F
2-tert-Butylphenol, 99%
CAS: 88-18-6 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00002223 InChI Key: WJQOZHYUIDYNHM-UHFFFAOYSA-N Synonym: 2-tert-butyl phenol,2-t-butylphenol,phenol, 2-1,1-dimethylethyl,phenol, o-tert-butyl,o-t-butylphenol,o-tert-butylphenol,tert-butylphenol,2-1,1-dimethylethyl phenol,2-tert-butyl-1-hydroxybenzene,t-butylphenol PubChem CID: 6923 ChEBI: CHEBI:34305 IUPAC Name: 2-tert-butylphenol SMILES: CC(C)(C)C1=CC=CC=C1O
2-Methoxy-4-nitroaniline, 98%
CAS: 97-52-9 Molecular Formula: C7H8N2O3 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00007363 InChI Key: GVBHRNIWBGTNQA-UHFFFAOYSA-N Synonym: fast red b base,benzenamine, 2-methoxy-4-nitro,4-nitro-o-anisidine,fast red base b,fast red b,red b base,diazo fast red b,2-amino-5-nitroanisole,azoamine pink o,fast red 5na base PubChem CID: 7337 IUPAC Name: 2-methoxy-4-nitroaniline SMILES: COC1=CC(=CC=C1N)[N+]([O-])=O
4-n-Propoxyaniline, 97%
CAS: 4469-80-1 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.21 MDL Number: MFCD00043621 InChI Key: DWOIGSLSPPLRKO-UHFFFAOYSA-N Synonym: p-propoxyaniline,benzenamine, 4-propoxy,4-n-propoxyaniline,4-propoxyphenyl amine hydrochloride,4-propoxyphenylamine,hydrochloride,4-propyloxyaniline,4-propoxybenzenamine,4-propoxy-phenylamine PubChem CID: 78221 IUPAC Name: 4-propoxyaniline SMILES: CCCOC1=CC=C(N)C=C1
4-Ethynylbenzaldehyde, 95%
CAS: 63697-96-1 Molecular Formula: C9H6O Molecular Weight (g/mol): 130.15 InChI Key: BGMHQBQFJYJLBP-UHFFFAOYSA-N PubChem CID: 2771645 IUPAC Name: 4-ethynylbenzaldehyde SMILES: C#CC1=CC=C(C=C1)C=O
1,3-Difluoro-5-iodobenzene, 98%
CAS: 2265-91-0 Molecular Formula: C6H3F2I Molecular Weight (g/mol): 239.99 MDL Number: MFCD03094155 InChI Key: QQCFOQNFPIAENW-UHFFFAOYSA-N Synonym: 3,5-difluoroiodobenzene,benzene, 1,3-difluoro-5-iodo,1,3-difluoro-5-iodo-benzene,3,5-difluoro iodobenzene,pubchem17134,3,5-difluoro-iodobenzene,3-difluoro-5-iodobenzene PubChem CID: 2778221 IUPAC Name: 1,3-difluoro-5-iodobenzene SMILES: FC1=CC(I)=CC(F)=C1