Benzenoids
2,6-Bis(hydroxymethyl)-p-cresol, tech. 90%
CAS: 91-04-3 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.192 MDL Number: MFCD00004619 InChI Key: KUMMBDBTERQYCG-UHFFFAOYSA-N Synonym: 2,6-bis hydroxymethyl-4-methylphenol,2,6-bis hydroxymethyl-p-cresol,2,6-dimethylol-p-cresol,2-hydroxy-5-methyl-1,3-phenylene dimethanol,2,6-dimethylol-4-methylphenol,2,6-di hydroxymethyl-p-cresol,1,3-benzenedimethanol, 2-hydroxy-5-methyl,2-hydroxy-5-methyl-1,3-benzenedimethanol,3,5-bis hydroxymethyl-p-cresol,alpha1,alpha,2-trihydroxymesitylene PubChem CID: 7039 IUPAC Name: 2,6-bis(hydroxymethyl)-4-methylphenol SMILES: CC1=CC(=C(C(=C1)CO)O)CO
N1-(5-Amino-2-methylphenyl)acetamide, 97%, Thermo Scientific™
CAS: 5434-30-0 Molecular Formula: C9H12N2O Molecular Weight (g/mol): 164.208 MDL Number: MFCD00047859 InChI Key: UAZGSMMESOKKQZ-UHFFFAOYSA-N Synonym: n-5-amino-2-methylphenyl acetamide,2-acetylamino-4-aminotoluene,acetamide, n-5-amino-2-methylphenyl,5'-amino-2'-methylacetanilide,2-acetylamino-p-toluidine,n1-5-amino-2-methylphenyl acetamide,n-3-amino-6-methylphenyl acetamide,3-acetylamino-p-toluidine,2-methyl-5-aminoacetaniline,3-acetamido-4-methylaniline PubChem CID: 79492 IUPAC Name: N-(5-amino-2-methylphenyl)acetamide SMILES: CC1=C(C=C(C=C1)N)NC(=O)C
Metoprolol tartrate, 98+%
CAS: 56392-17-7 Molecular Formula: C34H56N2O12 Molecular Weight (g/mol): 684.824 MDL Number: MFCD00056257 InChI Key: YGULWPYYGQCFMP-NPHUUBOGSA-N Synonym: y-metoprolol +-tartrate,?-metoprolol +-tartrate,--tartaric acid; bis metoprolol,1-isopropylamino-3-p-beta-methoxyethyl phenoxy-2-propanol +-tartrate salt,1-isopropylamino-3-4-2-methoxyethyl phenoxy propan-2-ol 2,3-dihydroxysuccinate 2 PubChem CID: 11957594 IUPAC Name: (2R,3S)-2,3-dihydroxybutanedioic acid;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol SMILES: CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.C(C(C(=O)O)O)(C(=O)O)O
3-Chloro-4-(cyclopropylcarbamoyl)benzeneboronic acid, 97%, Thermo Scientific Chemicals
CAS: 850589-44-5 Molecular Formula: C10H11BClNO3 Molecular Weight (g/mol): 239.462 MDL Number: MFCD07363770 InChI Key: TUPWHDSMIIRKLY-UHFFFAOYSA-N Synonym: 3-chloro-4-cyclopropylcarbamoyl phenylboronic acid,3-chloro-4-cyclopropylcarbamoyl phenyl boronic acid,3-chloro-4-cyclopropylcarbamoyl benzeneboronic acid,n-cyclopropyl 2-chloro-4-boronobenzamide,3-chloro-4-cyclopropylcarbamoyl phenyl boronicacid,3-chloro-4-cyclopropylcarbamoyl-phenyl boronic acid,3-chloro-4-cyclopropylamino carbonyl phenyl boronic acid,boronic acid, b-3-chloro-4-cyclopropylamino carbonyl phenyl,boronic acid,b-3-chloro-4-cyclopropylamino carbonyl phenyl PubChem CID: 44119649 IUPAC Name: [3-chloro-4-(cyclopropylcarbamoyl)phenyl]boronic acid SMILES: B(C1=CC(=C(C=C1)C(=O)NC2CC2)Cl)(O)O
2-Methyl-1-phenyl-1-propanol, 98%
CAS: 611-69-8 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00065000 InChI Key: GMDYDZMQHRTHJA-UHFFFAOYSA-N Synonym: 2-methyl-1-phenyl-1-propanol,.alpha.-isopropylbenzyl alcohol,isopropyl benzyl alcohol,2-methyl-1-phenylpropanol,benzenemethanol, .alpha.-1-methylethyl,1-phenyl-2-methylpropyl alcohol,1r-2-methyl-1-phenyl-propan-1-ol,phenylisopropylcarbinol,isopropylphenylcarbinol,acmc-20anr9 PubChem CID: 95626 IUPAC Name: 2-methyl-1-phenylpropan-1-ol SMILES: CC(C)C(C1=CC=CC=C1)O
2,4,6-Trimethylbenzoic acid, 99%
CAS: 480-63-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00002481 InChI Key: FFFIRKXTFQCCKJ-UHFFFAOYSA-N Synonym: mesitoic acid,mesitylenecarboxylic acid,beta-isodurylic acid,benzoic acid, 2,4,6-trimethyl,.beta.-isodurylic acid,unii-4pu2hg6787,2-mesitylenecarboxylic acid,2,4,6-trimethyl-benzoic acid,2,6-trimethylbenzoic acid,benzoic acid,4,6-trimethyl PubChem CID: 10194 ChEBI: CHEBI:64830 IUPAC Name: 2,4,6-trimethylbenzoic acid SMILES: CC1=CC(C)=C(C(O)=O)C(C)=C1
4-Fluorodiphenyl ether, 99%
CAS: 330-84-7 Molecular Formula: C12H9FO Molecular Weight (g/mol): 188.20 MDL Number: MFCD00055239 InChI Key: AODSTUBSNYVSSL-UHFFFAOYSA-N Synonym: 4-fluorodiphenyl ether,4-fluorophenyl phenyl ether,benzene, 1-fluoro-4-phenoxy,4-fluoro-1-phenoxybenzene,4-fluorodiphenylether,4-fluorophenoxybenzene,pubchem1899,4-fluoroduphenyl ether,4-fluorophenylphenylether,# PubChem CID: 67614 IUPAC Name: 1-fluoro-4-phenoxybenzene SMILES: FC1=CC=C(OC2=CC=CC=C2)C=C1
2-(3-Bromophenyl)furan, ≥97%, Thermo Scientific™
CAS: 85553-51-1 Molecular Formula: C10H7BrO Molecular Weight (g/mol): 223.07 MDL Number: MFCD07775615 InChI Key: YQTIZEZABLIGPW-UHFFFAOYSA-N Synonym: 2-3-bromophenyl furan,2-3-bromo-phenyl-furan,furan,2-3-bromophenyl PubChem CID: 10609118 IUPAC Name: 2-(3-bromophenyl)furan SMILES: BrC1=CC=CC(=C1)C1=CC=CO1
Methyl 3-amino-5-hydroxybenzoate, 97%, Thermo Scientific™
CAS: 67973-80-2 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD09263220 InChI Key: DMNGQQIFOZYIRA-UHFFFAOYSA-N Synonym: 3-amino-5-hydroxy-benzoic acid methyl ester,benzoic acid, 3-amino-5-hydroxy-, methyl ester,pubchem17212,acmc-1bgay,dmngqqifozyira-uhfffaoysa,methyl 3-amino-5-hydroxy-benzoate,3-amino-5-methoxycarbonyl phenol,3-hydroxy-5-methoxycarbonyl aniline,3-amino-5-hydroxybenzoic acid methyl ester,5-amino-3-hydroxybenzoic acid methyl ester PubChem CID: 12438277 IUPAC Name: methyl 3-amino-5-hydroxybenzoate SMILES: COC(=O)C1=CC(=CC(=C1)O)N
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-Hydroxy-3,5-dimethylbenzoic acid, 98%
CAS: 4919-37-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00016536 InChI Key: OMNHTTWQSSUZHO-UHFFFAOYSA-N Synonym: 3,5-dimethyl-4-hydroxybenzoic acid,benzoic acid, 4-hydroxy-3,5-dimethyl,pubchem16247,acmc-209kf7,ksc496e2b,omnhttwqssuzho-uhfffaoysa,3.5-dimethyl-4-hydroxybenzoic acid,3,5-dimethyl-4-hydroxy-benzoic acid,4-hydroxy-3,5-dimethyl-benzoic acid PubChem CID: 138387 IUPAC Name: 4-hydroxy-3,5-dimethylbenzoic acid SMILES: CC1=CC(=CC(=C1O)C)C(=O)O
2-Bromobenzylamine, 96%
CAS: 3959-05-5 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.05 MDL Number: MFCD00025572 InChI Key: NOYASZMZIBFFNZ-UHFFFAOYSA-N Synonym: 2-bromobenzylamine,2-bromophenyl methanamine,o-bromobenzylamine,2-bromophenyl methylamine,1-2-bromophenyl methanamine,2-brobenzylamine,2-bromo-benzylamine,pubchem20398,acmc-1ct06,benzenemethanamine, 2-bromo PubChem CID: 334072 IUPAC Name: (2-bromophenyl)methanamine SMILES: C1=CC=C(C(=C1)CN)Br
2-(trifluoromethyl)phenyl isothiocyanate, Thermo Scientific™
CAS: 1743-86-8 Molecular Formula: C8H4F3NS Molecular Weight (g/mol): 203.182 InChI Key: FCEKLQPJGXIQRY-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl benzene,2-trifluoromethylphenylisothiocyanate,2-trifluoromethyl phenylisothiocyanate,2-trifluoromethylphenyl isothiocyanate,o-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl-benzene,benzene, 1-isothiocyanato-2-trifluoromethyl,alpha,alpha,alpha-trifluoro-o-tolyl isothiocyanate,isothiocyanic acid 2-trifluoromethyl phenyl ester PubChem CID: 737162 IUPAC Name: 1-isothiocyanato-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)N=C=S
2-Amino-4-methylphenol, 98%
CAS: 95-84-1 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.16 MDL Number: MFCD00007699 InChI Key: ZMXYNJXDULEQCK-UHFFFAOYSA-N Synonym: 2-amino-p-cresol,2-hydroxy-5-methylaniline,phenol, 2-amino-4-methyl,3-amino-4-hydroxytoluene,6-hydroxy-m-toluidine,4-methyl-2-aminophenol,5-methyl-2-hydroxyaniline,2-amino-4-cresol,p-cresol, 2-amino,2-amino-4-methyl-phenol PubChem CID: 7264 IUPAC Name: 2-amino-4-methylphenol SMILES: CC1=CC=C(O)C(N)=C1
9-Anthracenecarboxaldehyde, 99%
CAS: 642-31-9 Molecular Formula: C15H10O Molecular Weight (g/mol): 206.24 MDL Number: MFCD00001254 InChI Key: YMNKUHIVVMFOFO-UHFFFAOYSA-N Synonym: 9-anthraldehyde,9-anthracenecarboxaldehyde,9-anthrylaldehyde,9-formylanthracene,9-anthracenecarbaldehyde,9-anthrylcarboxaldehyde,ccris 3165,nsc 15,anthracene-9-aldehyde,anthracene-9-carboxaldehyde PubChem CID: 69504 IUPAC Name: anthracene-9-carbaldehyde SMILES: O=CC1=C2C=CC=CC2=CC2=CC=CC=C12