Benzenoids
Selectophore™ Dipentyl phthalate, 99.0%, MilliporeSigma™ Supelco™
CAS: 131-18-0 Molecular Formula: C18H26O4 Molecular Weight (g/mol): 306.40 MDL Number: MFCD00041934 InChI Key: IPKKHRVROFYTEK-UHFFFAOYSA-N IUPAC Name: 1,2-dipentyl benzene-1,2-dicarboxylate SMILES: CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC
2-Bromo-4-methoxybenzaldehyde, 98%
CAS: 43192-31-0 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD09788636 InChI Key: ODISAUHBLBVQKC-UHFFFAOYSA-N Synonym: benzaldehyde, 2-bromo-4-methoxy,benzaldehyde,2-bromo-4-methoxy,3-bromo-4-formylanisole, 2-bromo-p-anisaldehyde,pubchem12556,acmc-209jtd,ksc232o5d,2-bromanyl-4-methoxy-benzaldehyde PubChem CID: 11127641 IUPAC Name: 2-bromo-4-methoxybenzaldehyde SMILES: COC1=CC(Br)=C(C=O)C=C1
2,4,6-Trimethylbenzyl alcohol, 98+%
CAS: 4170-90-5 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00014422 InChI Key: LODDFDHPSIYCTK-UHFFFAOYSA-N Synonym: 2,4,6-trimethylbenzyl alcohol,mesitylmethanol,mesitylcarbinol,2,4,6-trimethylphenyl methanol,unii-rev3kvt84n,benzenemethanol, 2,4,6-trimethyl,2,4,6-trimethylbenzylic alcohol,benzyl alcohol, 2,4,6-trimethyl,rev3kvt84n,2,4,6-trimethylphenyl methan-1-ol PubChem CID: 20139 IUPAC Name: (2,4,6-trimethylphenyl)methanol SMILES: CC1=CC(=C(C(=C1)C)CO)C
3-Cyanobenzaldehyde, 97%
CAS: 24964-64-5 Molecular Formula: C8H5NO Molecular Weight (g/mol): 131.134 MDL Number: MFCD00003344 InChI Key: HGZJJKZPPMFIBU-UHFFFAOYSA-N Synonym: 3-cyanobenzaldehyde,m-cyanobenzaldehyde,benzonitrile, 3-formyl,m-formylbenzonitrile,m-cyanobenazldehyde,3-cyano benzaldehyde,3-formyl-benzonitrile,3-formylbenzenecarbonitrile,3cyano-benzaldehyde,m-cyano benzaldehyde PubChem CID: 90670 IUPAC Name: 3-formylbenzonitrile SMILES: C1=CC(=CC(=C1)C=O)C#N
4-Fluorobenzeneboronic acid, 97%
CAS: 1765-93-1 Molecular Formula: C6H6BFO2 Molecular Weight (g/mol): 139.92 MDL Number: MFCD00039136 InChI Key: LBUNNMJLXWQQBY-UHFFFAOYSA-N Synonym: 4-fluorobenzeneboronic acid,4-fluorophenyl boronic acid,4-fluorophenyl boranediol,p-fluorophenylboronic acid,4-fluorophenylbornic acid,4-fluorophenyl dihydroxyboron,4-fluorophenyl dihydroxyborane,p-fluorophenyl boric acid,4-fluorophenyl boric acid PubChem CID: 285645 ChEBI: CHEBI:48661 IUPAC Name: (4-fluorophenyl)boronic acid SMILES: OB(O)C1=CC=C(F)C=C1
3-Bromo-2,6-dimethoxybenzoic acid, ≥97%, Thermo Scientific™
CAS: 73219-89-3 Molecular Formula: C9H9BrO4 Molecular Weight (g/mol): 261.071 MDL Number: MFCD00052933 InChI Key: CUQANLQRQJHIQE-UHFFFAOYSA-N PubChem CID: 2774744 IUPAC Name: 3-bromo-2,6-dimethoxybenzoic acid SMILES: COC1=C(C(=C(C=C1)Br)OC)C(=O)O
3,5-Bis(trifluoromethyl)phenyl isothiocyanate, 98%
CAS: 23165-29-9 Molecular Formula: C9H3F6NS Molecular Weight (g/mol): 271.18 MDL Number: MFCD00040838 InChI Key: FXOSSGVJGGNASE-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl phenylisothiocyanate,isothiocyanic acid 3,5-bis trifluoromethyl phenyl ester,3,5-di trifluoromethyl phenyl isothiocyanate,3,5-bis-trifluoromethyl phenyl isothiocyanate,3,5-bis-trifluoromethylphenyl isothiocyanate,benzene, 1-isothiocyanato-3,5-bis trifluoromethyl,pubchem5019,acmc-209g1w PubChem CID: 2733395 IUPAC Name: 1-isothiocyanato-3,5-bis(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC(=CC(=C1)N=C=S)C(F)(F)F
Chlorotriphenylmethane, 98%
CAS: 76-83-5 Molecular Formula: C19H15Cl Molecular Weight (g/mol): 278.78 MDL Number: MFCD00000813,MFCD00284810 InChI Key: JBWKIWSBJXDJDT-UHFFFAOYSA-N Synonym: trityl chloride,triphenylmethyl chloride,triphenylchloromethane,chlorotriphenylmethane,chloromethanetriyl tribenzene,triphenylmethylchloride,methane, chlorotriphenyl,triphenyl chloromethane,chlorodiphenylmethyl benzene,benzene, 1,1',1-chloromethylidyne tris PubChem CID: 6456 IUPAC Name: [chloro(diphenyl)methyl]benzene SMILES: ClC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
2,3-Dimethoxytoluene, 98+%
CAS: 4463-33-6 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.193 MDL Number: MFCD00008379 InChI Key: WMXFNCKPYCAIQW-UHFFFAOYSA-N Synonym: 2,3-dimethoxytoluene,3-methylveratrole,benzene, 1,2-dimethoxy-3-methyl,dimethoxytoluene,1,2-dimethoxy-3-methyl-benzene,acmc-1ae12,1-methyl-2,3-dimethoxybenzene,3-methylcatechol, dimethyl ether,# PubChem CID: 78215 IUPAC Name: 1,2-dimethoxy-3-methylbenzene SMILES: CC1=C(C(=CC=C1)OC)OC
2,4-Difluorobenzoic acid, 98%
CAS: 1583-58-0 Molecular Formula: C7H4F2O2 Molecular Weight (g/mol): 158.10 MDL Number: MFCD00011670 InChI Key: NJYBIFYEWYWYAN-UHFFFAOYSA-N Synonym: 2,4-dfba,benzoic acid, 2,4-difluoro,2,4-difluorobenzoicacid,2,4-difluoro-benzoic acid,zlchem 472,pubchem1336,acmc-1brgf,2,4-difluorbenzoic acid,2,4-difluorobezoic acid,2 4-difluorobenzoic acid PubChem CID: 74102 IUPAC Name: 2,4-difluorobenzoic acid SMILES: OC(=O)C1=CC=C(F)C=C1F
5-Fluoro-2-methylanisole, 98%
CAS: 95729-22-9 Molecular Formula: C8H9FO Molecular Weight (g/mol): 140.157 MDL Number: MFCD00673008 InChI Key: CXTIUQIZWCABPV-UHFFFAOYSA-N Synonym: 5-fluoro-2-methylanisole,4-fluoro-2-methoxytoluene,4-fluoro-2-methoxy-1-methyl-benzene,pubchem2624,1-methyl-2-methoxy-4-fluorobenzene,5-fluoro-2-methylphenyl methyl ether,4-fluoranyl-2-methoxy-1-methyl-benzene,benzene, 4-fluoro-2-methoxy-1-methyl PubChem CID: 2774573 IUPAC Name: 4-fluoro-2-methoxy-1-methylbenzene SMILES: CC1=C(C=C(C=C1)F)OC
4-Methoxyphenylacetone, 97+%
CAS: 122-84-9 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00008773 InChI Key: WFWKNGZODAOLEO-UHFFFAOYSA-N Synonym: 4-methoxyphenylacetone,p-acetonylanisole,anisketone,1-4-methoxyphenyl propan-2-one,2-propanone, 1-4-methoxyphenyl,anisyl methyl ketone,p-methoxyphenylacetone,4-methoxybenzyl methyl ketone,1-p-methoxyphenyl-2-propanone,anisic ketone PubChem CID: 31231 IUPAC Name: 1-(4-methoxyphenyl)propan-2-one SMILES: CC(=O)CC1=CC=C(C=C1)OC
1-Phenyl-1,2-propanedione-2-oxime, 99%
CAS: 119-51-7 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00002115 InChI Key: YPINLRNGSGGJJT-JXMROGBWSA-N Synonym: 1-phenyl-1,2-propanedione-2-oxime,2-hydroxyimino propiophenone,isonitrosopropiophenone,2-hydroxyiminopropiophenone,2-hydroxyimino-1-phenylpropan-1-one,propiophenone, isonitroso,2-isonitrosopropiophenone,alpha-oximinopropiophenone,1-phenyl-1,2-propanedione 2-oxime,.alpha.-oximinopropiophenone PubChem CID: 9566063 IUPAC Name: (2E)-2-hydroxyimino-1-phenylpropan-1-one SMILES: C\C(=N/O)C(=O)C1=CC=CC=C1
2-(4-Bromophenyl)-2-propanol, 97%
CAS: 2077-19-2 Molecular Formula: C9H11BrO Molecular Weight (g/mol): 215.09 MDL Number: MFCD11870096 InChI Key: AOGYBHJTXLXRSM-UHFFFAOYSA-N Synonym: 2-4-bromophenyl propan-2-ol,2-4-bromophenyl-2-propanol,acmc-209fdx,2-4-bromophenyl propan-2-o1,2-4-bromophenyl-propan-2-ol,2-4-bromo-phenyl propan-2-ol,2-4-bromo-phenyl-propan-2-ol,p-bromo-alpha,alpha-dimethylbenzyl alcohol,4-bromo-alpha,alpha-dimethylbenzyl alcohol PubChem CID: 12681920 IUPAC Name: 2-(4-bromophenyl)propan-2-ol SMILES: CC(C)(O)C1=CC=C(Br)C=C1
2-Methyl-3-phenyl-1-propene, 99%
CAS: 3290-53-7 Molecular Formula: C10H12 Molecular Weight (g/mol): 132.206 MDL Number: MFCD00039815 InChI Key: MXTNFIYGTWARIN-UHFFFAOYSA-N Synonym: 2-methyl-3-phenyl-1-propene,methallylbenzene,benzene, 2-methyl-2-propenyl,benzene, 2-methylallyl,2-methylprop-2-en-1-yl benzene,2-methyl-2-propenyl benzene,methallyl benzene,2-methylallylbenzene,2-benzyl-1-propene,2-methylallyl benzene PubChem CID: 18687 IUPAC Name: 2-methylprop-2-enylbenzene SMILES: CC(=C)CC1=CC=CC=C1