Benzene and substituted derivatives
Benzoic anhydride, 98%
CAS: 93-97-0 Molecular Formula: C14H10O3 Molecular Weight (g/mol): 226.23 MDL Number: MFCD00003073 InChI Key: CHIHQLCVLOXUJW-UHFFFAOYSA-N Synonym: benzoic anhydride,benzoic acid, anhydride,benzoyl anhydride,benzoylbenzoate,benzoic acid anhydride,benzoic acid, 1,1'-anhydride,phenyl anhydride,benzoesaeureanhydrid,unii-9k7x34fov2,phenylcarbonyl benzoate PubChem CID: 7167 ChEBI: CHEBI:38815 IUPAC Name: benzoyl benzoate SMILES: C1=CC=C(C=C1)C(=O)OC(=O)C2=CC=CC=C2
3-Pyrimidin-2-ylbenzoic acid, 97%, Thermo Scientific™
CAS: 579476-26-9 Molecular Formula: C11H8N2O2 Molecular Weight (g/mol): 200.197 MDL Number: MFCD05864812 InChI Key: KLTNGIZIUGYITR-UHFFFAOYSA-N PubChem CID: 22317373 IUPAC Name: 3-pyrimidin-2-ylbenzoic acid SMILES: C1=CC(=CC(=C1)C(=O)O)C2=NC=CC=N2
4-Cyclohexylbenzoic acid, 98%
CAS: 20029-52-1 Molecular Formula: C13H16O2 Molecular Weight (g/mol): 204.269 MDL Number: MFCD00039459 InChI Key: QCIWHVKGVVQHIY-UHFFFAOYSA-N Synonym: 4-cyclohexyl-benzoic acid,benzoic acid, 4-cyclohexyl,4cyclohexylbenzoic acid,4-cyclohexylbenzoicacid,p-cyclohexylbenzoic acid,acmc-1cmbu,cyclohexybenzoicacid,4-carboxyphenyl cyclohexane PubChem CID: 88337 IUPAC Name: 4-cyclohexylbenzoic acid SMILES: C1CCC(CC1)C2=CC=C(C=C2)C(=O)O
4-Hexylbenzoic acid, 97%, Thermo Scientific™
CAS: 21643-38-9 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00013997 InChI Key: CPEPWESLFZVUEP-UHFFFAOYSA-N Synonym: benzoic acid, 4-hexyl,4-n-hexylbenzoic acid,p-hexylbenzoic acid,benzoic acid, p-hexyl,p-n-hexylbenzoic acid,4n-hexylbenzoic acid,maybridge1_002028,para-n-hexyl benzoic acid,acmc-1chu5,ksc201s3p PubChem CID: 30725 IUPAC Name: 4-hexylbenzoic acid SMILES: CCCCCCC1=CC=C(C=C1)C(=O)O
3-Benzoylacrylic acid, predominantly trans, 97%
CAS: 583-06-2 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.171 MDL Number: MFCD00014015 InChI Key: PLPDHGOODMBBGN-VOTSOKGWSA-N Synonym: 3-benzoylacrylic acid,benzoylacrylic acid,4-oxo-4-phenyl-2-butenoic acid,e-4-oxo-4-phenylbut-2-enoic acid,acrylic acid, 3-benzoyl,2-butenoic acid, 4-oxo-4-phenyl,4-oxo-4-phenylbut-2-enoic acid,crotonic acid, 4-oxo-4-phenyl,.beta.-benzoylacrylic acid,trans-3-benzoylacrylic acid PubChem CID: 676116 IUPAC Name: (E)-4-oxo-4-phenylbut-2-enoic acid SMILES: C1=CC=C(C=C1)C(=O)C=CC(=O)O
3-(1-Methyl-1H-pyrazol-3-yl)benzoic acid, 97%, Thermo Scientific™
CAS: 906352-85-0 Molecular Formula: C11H10N2O2 Molecular Weight (g/mol): 202.213 MDL Number: MFCD09065006 InChI Key: NQPMBEUYTBLTAG-UHFFFAOYSA-N Synonym: 3-1-methyl-1h-pyrazol-3-yl benzoic acid,3-1-methylpyrazol-3-yl benzoic acid,benzoicacid,3-1-methyl-1h-pyrazol-3-yl,3-3-carboxyphenyl-1-methyl-1h-pyrazole,benzoicacid, 3-1-methyl-1h-pyrazol-3-yl,benzoic acid, 3-1-methyl-1h-pyrazol-3-yl PubChem CID: 24229627 IUPAC Name: 3-(1-methylpyrazol-3-yl)benzoic acid SMILES: CN1C=CC(=N1)C2=CC(=CC=C2)C(=O)O
4-Fluorobenzaldehyde, 98+%, AcroSeal™
CAS: 459-57-4 Molecular Formula: C7H5FO Molecular Weight (g/mol): 124.11 MDL Number: MFCD00003378 InChI Key: UOQXIWFBQSVDPP-UHFFFAOYSA-N Synonym: p-fluorobenzaldehyde,benzaldehyde, 4-fluoro,4-fluoro-benzaldehyde,para-fluorobenzaldehyde,p-fluorbenzaldehyde,fluorobenzaldehyde 4-,benzaldehyde, p-fluoro,pfad,4-fluoro benzaldehyde,para fluoro benzaldehyde PubChem CID: 68023 IUPAC Name: 4-fluorobenzaldehyde SMILES: C1=CC(=CC=C1C=O)F
3-Formylbenzeneboronic acid
CAS: 87199-16-4 Molecular Formula: C7H7BO3 Molecular Weight (g/mol): 149.94 MDL Number: MFCD00161356 InChI Key: HJBGZJMKTOMQRR-UHFFFAOYSA-N Synonym: 3-formylphenyl boronic acid,3-formylbenzeneboronic acid,3-boronobenzaldehyde,3-formyl phenylboronic acid,3-formylboronic acid,m-formylphenylboronic acid,3-dihydroxyboryl benzaldehyde,boronic acid, 3-formylphenyl,3-formylphenylboronicacid PubChem CID: 2734356 IUPAC Name: (3-formylphenyl)boronic acid SMILES: OB(O)C1=CC=CC(C=O)=C1
3-Bromobenzaldehyde, 97%
CAS: 3132-99-8 Molecular Formula: C7H5BrO Molecular Weight (g/mol): 185.02 MDL Number: MFCD00003345 InChI Key: SUISZCALMBHJQX-UHFFFAOYSA-N Synonym: m-bromobenzaldehyde,benzaldehyde, 3-bromo,benzaldehyde, m-bromo,3-bromobenzeldehyde,unii-w0ard2zj82,3-bromo benzaldehyde,3-bromo-benzaldehyde,w0ard2zj82,benzaldehyde, m-bromo-6ci,7ci,8ci,3-bromobenzaidehyde PubChem CID: 76583 IUPAC Name: 3-bromobenzaldehyde SMILES: C1=CC(=CC(=C1)Br)C=O
n-Propyl 4-aminobenzoate, 98%
CAS: 94-12-2 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.22 MDL Number: MFCD00017111 InChI Key: NBFQYHKHPBMJJV-UHFFFAOYSA-N Synonym: risocaine,propaesin,propazyl,propesine,propylcain,raythesin,keloform p,propyl p-aminobenzoate,propesin,4-propoxycarbonyl aniline PubChem CID: 7174 IUPAC Name: propyl 4-aminobenzoate SMILES: CCCOC(=O)C1=CC=C(N)C=C1
3,5-Difluorobenzaldehyde, 97%
CAS: 32085-88-4 Molecular Formula: C7H4F2O Molecular Weight (g/mol): 142.105 MDL Number: MFCD00010329 InChI Key: ASOFZHSTJHGQDT-UHFFFAOYSA-N Synonym: benzaldehyde, 3,5-difluoro,3,5-difluoro-benzaldehyde,pubchem1414,3,5difluorobenzaldehyde,acmc-1aewe,3,5-diflourobenzaldehyde,3-5-difluorobenzaldehyde,3, 5-difluorobenzaldehyde,ksc224o7p,3,5-difluorophenyl methanone PubChem CID: 588160 IUPAC Name: 3,5-difluorobenzaldehyde SMILES: C1=C(C=C(C=C1F)F)C=O
Benzyl n-butyl phthalate, 98%
CAS: 85-68-7 Molecular Formula: C19H20O4 Molecular Weight (g/mol): 312.365 MDL Number: MFCD00009440 InChI Key: IRIAEXORFWYRCZ-UHFFFAOYSA-N Synonym: benzyl butyl phthalate,butyl benzyl phthalate,sicol,palatinol bb,unimoll bb,santicizer 160,butylbenzyl phthalate,n-butyl benzyl phthalate,sicol 160,benzyl n-butyl phthalate PubChem CID: 2347 ChEBI: CHEBI:34595 IUPAC Name: 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate SMILES: CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2
4-(2-furyl)benzaldehyde, Thermo Scientific™
CAS: 60456-77-1 Molecular Formula: C11H8O2 Molecular Weight (g/mol): 172.183 InChI Key: WBUXKMOCVYRVES-UHFFFAOYSA-N Synonym: 4-2-furyl benzaldehyde,4-furan-2-yl benzaldehyde,4-furan-2-yl-benzaldehyde,benzaldehyde,4-2-furanyl,2-4-formylphenyl furan,4-2-furanyl benzaldehyde PubChem CID: 2772295 IUPAC Name: 4-(furan-2-yl)benzaldehyde SMILES: C1=COC(=C1)C2=CC=C(C=C2)C=O
2-Fluoro-4-methoxybenzaldehyde, 97%
CAS: 331-64-6 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00236679 InChI Key: UNWQNFJBBWXFBG-UHFFFAOYSA-N Synonym: 2-fluoro-p-anisaldehyde,2-fluoro-4-methoxy-benzaldehyde,2-fluoro-4-methoxy benzaldehyde,benzaldehyde, 2-fluoro-4-methoxy,2-fluoro-4-methoxybenzaldhyde,pubchem1447,acmc-209hyt,3-fluoro-4-formylanisole,2-fluor-4-methoxybenzaldehyd PubChem CID: 2734873 IUPAC Name: 2-fluoro-4-methoxybenzaldehyde SMILES: COC1=CC=C(C=O)C(F)=C1
3-Iodobenzeneboronic acid pinacol ester, 97%
CAS: 408492-28-4 Molecular Formula: C12H16BIO2 Molecular Weight (g/mol): 329.97 MDL Number: MFCD09953498 InChI Key: HSHFNMSHDHAHDN-UHFFFAOYSA-N Synonym: 2-3-iodophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3-iodophenylboronic acid pinacol ester,amtb088,3-iodophenylboronic acid pinacolester,1,3,2-dioxaborolane,2-3-iodophenyl-4,4,5,5-tetramethyl,2-3-iodanylphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3-iodo-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzene PubChem CID: 11313483 IUPAC Name: 2-(3-iodophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1=CC(I)=CC=C1