Benzenoids
4-Fluoro-2-methoxybenzoic acid, 99%
CAS: 395-82-4 Molecular Formula: C8H7FO3 Molecular Weight (g/mol): 170.14 MDL Number: MFCD00673010 InChI Key: UUQDNAPKWPKHMK-UHFFFAOYSA-N Synonym: 2-methoxy-4-fluorobenzoic acid,4-fluoro-2-methoxy-benzoic acid,4-fluoro-o-anisic acid,benzoic acid, 4-fluoro-2-methoxy,pubchem4969,acmc-209j6b,ksc494s1h,4-fluoro-2-methoxybenzoicacid,rarechem al be 1023,4-fluoro-2-methoxy benzoic acid PubChem CID: 2774545 IUPAC Name: 4-fluoro-2-methoxybenzoic acid SMILES: COC1=CC(F)=CC=C1C(O)=O
2-(Trifluoromethyl)benzeneboronic acid, 97%
CAS: 1423-27-4 Molecular Formula: C7H6BF3O2 Molecular Weight (g/mol): 189.928 MDL Number: MFCD00236059 InChI Key: JNSBEPKGFVENFS-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenylboronic acid,2-trifluoromethylphenylboronic acid,2-trifluoromethyl phenyl boronic acid,2-trifluoromethyl benzeneboronic acid,2-trifluoromethyl phenyl boranediol,o-trifluoromethylphenylboronic acid,2-boronobenzotrifluoride,alpha,alpha,alpha-trifluoro-o-tolueneboronic acid PubChem CID: 2734387 IUPAC Name: [2-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=CC=CC=C1C(F)(F)F)(O)O
4-Trifluoromethyl-alpha-toluenesulfonyl chloride, 97%, Thermo Scientific Chemicals
CAS: 163295-75-8 Molecular Formula: C8H6ClF3O2S Molecular Weight (g/mol): 258.64 MDL Number: MFCD01631932 InChI Key: KKBNUPMMAGEQAT-UHFFFAOYSA-N Synonym: 4-trifluoromethyl phenyl methanesulfonyl chloride,4-trifluoromethylbenzylsulfonyl chloride,4-trifluoromethyl benzylsulfonyl chloride,4-trifluoromethyl phenyl methyl sulfonyl chloride,4-chlorosulphonyl methyl benzotrifluoride,4-trifluoromethyl-alpha-toluenesulfonyl chloride,4-trifluoromethylphenyl methanesulfonyl chloride,4-trifluoromethyl-phenyl-methanesulfonyl chloride,alpha-chlorosulphonyl-4-trifluoromethyl toluene PubChem CID: 594332 IUPAC Name: [4-(trifluoromethyl)phenyl]methanesulfonyl chloride SMILES: FC(F)(F)C1=CC=C(CS(Cl)(=O)=O)C=C1
2-Bromo-5-fluoroanisole, 97%
CAS: 450-88-4 Molecular Formula: C7H6BrFO Molecular Weight (g/mol): 205.03 MDL Number: MFCD04973752 InChI Key: KGYXKRGMSUHYCY-UHFFFAOYSA-N Synonym: 2-bromo-5-fluoroanisole,benzene, 1-bromo-4-fluoro-2-methoxy,1-bromo-4-fluoro-2-methoxy-benzene,2-methoxy-4-fluorobromobenzene,buttpark 87\07-62,pubchem4091,acmc-1ct2m,ksc494a1p,bromo-4-fluoro-2-methoxybenzene PubChem CID: 7018043 IUPAC Name: 1-bromo-4-fluoro-2-methoxybenzene SMILES: COC1=CC(F)=CC=C1Br
2,4,6-Trimethylthiophenol, 97%
CAS: 1541-10-2 Molecular Formula: C9H12S Molecular Weight (g/mol): 152.255 MDL Number: MFCD00218475 InChI Key: PKANQZUPJCMBAK-UHFFFAOYSA-N Synonym: 2,4,6-trimethylthiophenol,2,4,6-trimethylbenzene-1-thiol,benzenethiol,2,4,6-trimethyl,2-mercaptomesitylene,2-sulphanylmesitylene,acmc-20aoem,2,4,6-trimethyl-benzene-1-thiol PubChem CID: 284449 IUPAC Name: 2,4,6-trimethylbenzenethiol SMILES: CC1=CC(=C(C(=C1)C)S)C
2-Nitroterephthalic acid 1-methyl ester, 97%
CAS: 35092-89-8 Molecular Formula: C9H7NO6 Molecular Weight (g/mol): 225.16 MDL Number: MFCD00024510 InChI Key: MIIADZYPHVTLPR-UHFFFAOYSA-N Synonym: 4-methoxycarbonyl-3-nitrobenzoic acid,1-methyl 2-nitroterephthalate,methyl hydrogen 2-nitroterephthalate,3-nitro-4-carbomethoxybenzoic acid,2-nitroterephthalic acid 1-methyl ester,methyl 2-nitro-4-carboxybenzoate,methyl-2-nitro-4-carboxy-benzoate,4-carbomethoxy-3-nitro-benzoic acid PubChem CID: 98592 IUPAC Name: 4-(methoxycarbonyl)-3-nitrobenzoic acid SMILES: COC(=O)C1=CC=C(C=C1[N+]([O-])=O)C(O)=O
3-(Methylthio)benzoic acid, 97%
CAS: 825-99-0 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00156993 InChI Key: PZGADOOBMVLBJE-UHFFFAOYSA-N Synonym: 3-methylthio benzoic acid,3-methylsulfanyl benzoic acid,benzoic acid, 3-methylthio,benzoic acid, m-methylthio,3-mercaptobenzoic acid s-methyl ether,3-methylsulfanyl-benzoic acid,3-carboxythioanisole,pubchem10679 PubChem CID: 220329 IUPAC Name: 3-methylsulfanylbenzoic acid SMILES: CSC1=CC=CC(=C1)C(=O)O
3-Methoxy-5-methylphenol, 97%
CAS: 3209-13-0 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00059261 InChI Key: NOTCZLKDULMKBR-UHFFFAOYSA-N Synonym: 3-hydroxy-5-methoxytoluene,phenol, 3-methoxy-5-methyl,5-methoxy-m-cresol,orcinol monomethyl ether,o-methylorcinol,3-methoxy-5-methyl-phenol,unii-uya9w3l847,5-methoxy-3-methylphenol,orcinyl ter,3-methoxy-5-methylphenol PubChem CID: 76674 IUPAC Name: 3-methoxy-5-methylphenol SMILES: CC1=CC(=CC(=C1)OC)O
(S)-1,2,3,4-Tetrahydro-1-naphthoic acid, 98%
CAS: 85977-52-2 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.215 MDL Number: MFCD07368365 InChI Key: VDLWTJCSPSUGOA-JTQLQIEISA-N Synonym: s-1,2,3,4-tetrahydro-1-naphthoic acid,s-1,2,3,4-tetrahedro-naphthoic acid,1s-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid,s-1,2,3,4-tetrahydro-naphthoic acid,1s-tetralin-1-carboxylic acid,s---1,2,3,4-tetrahydronaphthoic acid,s-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid,pubchem11869,s-1, 2, 3, 4-tetrahydronaphthoic acid,1s-1,2,3,4-tetrahydro-1-naphthoic acid PubChem CID: 24820460 IUPAC Name: (1S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid SMILES: C1CC(C2=CC=CC=C2C1)C(=O)O
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 PubChem CID: 597250 IUPAC Name: (2,4-dimethoxyphenyl)methanamine SMILES: COC1=CC(=C(C=C1)CN)OC
4-Methoxyphenyl isothiocyanate, 98%
CAS: 2284-20-0 Molecular Formula: C8H7NOS Molecular Weight (g/mol): 165.21 MDL Number: MFCD00011676 InChI Key: VRPQCVLBOZOYCG-UHFFFAOYSA-N Synonym: 4-methoxyphenyl isothiocyanate,4-methoxyphenylisothiocyanate,1-isothiocyanato-4-methoxy-benzene,p-methoxyphenyl isothiocyanate,benzene, 1-isothiocyanato-4-methoxy,isothiocyanic acid 4-methoxyphenyl ester,4-methoxybenzenisothiocyanate,4-isothiocyanatoanisole,acmc-1ccqx,p-methoxyphenylisothiocyanate PubChem CID: 75293 IUPAC Name: 1-isothiocyanato-4-methoxybenzene SMILES: COC1=CC=C(C=C1)N=C=S
Methyltriphenylphosphonium iodide, 98%
CAS: 2065-66-9 Molecular Formula: C19H18IP Molecular Weight (g/mol): 404.23 MDL Number: MFCD00066175 InChI Key: JNMIXMFEVJHFNY-UHFFFAOYSA-M Synonym: methyltriphenylphosphonium iodide,methyl triphenylphosphonium iodide,methyltriphenylphosphanium iodide,methyl triphenyl phosphonium iodide,phosphonium, methyltriphenyl-, iodide,methyl triphenylphosphoniumiodide,methyl triphenyl phosphanium iodide,triphenylmethyl phosphonium iodide,pubchem15730 PubChem CID: 638159 IUPAC Name: methyl(triphenyl)phosphanium;iodide SMILES: [I-].C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
2-Bromo-1,3,5-triisopropylbenzene, 96%
CAS: 21524-34-5 Molecular Formula: C15H23Br Molecular Weight (g/mol): 283.253 MDL Number: MFCD00051547 InChI Key: FUMMYHVKFAHQST-UHFFFAOYSA-N Synonym: 2-bromo-1,3,5-triisopropylbenzene,1-bromo-2,4,6-triisopropylbenzene,2,4,6-triisopropylbromobenzene,1,3,5-triisopropyl-2-bromobenzene,2-bromo-1,3,5-tris propan-2-yl benzene,2-bromo-1,3,5-triisopropyl-benzene,2-bromo-1,3,5-tri propan-2-yl benzene,benzene, 2-bromo-1,3,5-tris 1-methylethyl,2-bromo-1,3,5-tris 1-methylethyl-benzene,acmc-209flf PubChem CID: 140846 IUPAC Name: 2-bromo-1,3,5-tri(propan-2-yl)benzene SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)Br)C(C)C
2-Naphthoxyacetic acid, 97%
CAS: 120-23-0 Molecular Formula: C12H10O3 Molecular Weight (g/mol): 202.209 MDL Number: MFCD00004066 InChI Key: RZCJYMOBWVJQGV-UHFFFAOYSA-N Synonym: 2-naphthoxyacetic acid,2-naphthyloxy acetic acid,bnoa,2-naphthyloxyacetic acid,2-naphthalen-2-yloxy acetic acid,noxa,betoxon,2-noxa,naphthoxyacetic acid,betapal PubChem CID: 8422 ChEBI: CHEBI:50397 IUPAC Name: 2-naphthalen-2-yloxyacetic acid SMILES: C1=CC=C2C=C(C=CC2=C1)OCC(=O)O
2-Bromobenzyl alcohol, 98%
CAS: 18982-54-2 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00004600 InChI Key: IOWGHQGLUMEZKG-UHFFFAOYSA-N Synonym: 2-bromobenzyl alcohol,2-bromophenyl methanol,o-bromobenzyl alcohol,benzenemethanol, 2-bromo,o-bromo-benzyl alcohol,2-bromobenzylalcohol,2-bromophenyl methan-1-ol,o-bromobenzylalcohol,2-bromo-benzylalcohol,pubchem3746 PubChem CID: 72850 IUPAC Name: (2-bromophenyl)methanol SMILES: OCC1=CC=CC=C1Br