Benzenoids
3-Aminosalicylic acid, MP Biomedicals™
CAS: 570-23-0 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 InChI Key: IQGMRVWUTCYCST-UHFFFAOYSA-N Synonym: 3-aminosalicylic acid,3-amino salicylic acid,benzoic acid, 3-amino-2-hydroxy,3-amino-2-hydroxy-benzoic acid,2-amino-6-carboxyphenol,salicylic acid, 3-amino,3-carboxy-2-hydroxyaniline,3 or 5-aminosalicylic acid,benzoic acid, amino-2-hydroxy PubChem CID: 68443 IUPAC Name: 3-amino-2-hydroxybenzoic acid SMILES: C1=CC(=C(C(=C1)N)O)C(=O)O
Bromobenzene, 99%
CAS: 108-86-1 Molecular Formula: C6H5Br Molecular Weight (g/mol): 157.01 MDL Number: MFCD00000055 InChI Key: QARVLSVVCXYDNA-UHFFFAOYSA-N Synonym: benzene, bromo,monobromobenzene,phenyl bromide,bromo-benzene,1-bromobenzene,phbr,bromo benzene,4-bromobenzene,unii-co4d5j547l,hsdb 47 PubChem CID: 7961 ChEBI: CHEBI:3179 IUPAC Name: bromobenzene SMILES: BrC1=CC=CC=C1
4-Chlorobenzaldehyde, 98%
CAS: 104-88-1 Molecular Formula: C7H5ClO Molecular Weight (g/mol): 140.566 MDL Number: MFCD00003379 InChI Key: AVPYQKSLYISFPO-UHFFFAOYSA-N Synonym: p-chlorobenzaldehyde,benzaldehyde, 4-chloro,benzaldehyde, p-chloro,p-chlorobenzenecarboxaldehyde,4-chloro-benzaldehyde,4-chlorobenzenaldehyde,4-chloro benzaldehyde,ccris 857,para-chlorobenzaldehyde,unii-e67727up9z PubChem CID: 7726 ChEBI: CHEBI:28105 IUPAC Name: 4-chlorobenzaldehyde SMILES: C1=CC(=CC=C1C=O)Cl
2-Chlorobenzaldehyde, 97%
CAS: 89-98-5 Molecular Formula: C7H5ClO Molecular Weight (g/mol): 140.566 MDL Number: MFCD00003304 InChI Key: FPYUJUBAXZAQNL-UHFFFAOYSA-N Synonym: o-chlorobenzaldehyde,chlorobenzaldehyde,benzaldehyde, 2-chloro,benzaldehyde, o-chloro,2-chlorbenzaldehyd,2-clorobenzaldeide,o-chloorbenzaldehyde,usaf m-7,2-chloorbenzaldehyde,o-chlorobenzenecarboxaldehyde PubChem CID: 6996 IUPAC Name: 2-chlorobenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)Cl
4-tert-Butylbenzoic acid, 99%
CAS: 98-73-7 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00002563 InChI Key: KDVYCTOWXSLNNI-UHFFFAOYSA-N Synonym: 4-tert-butyl benzoic acid,tbba,p-tert-butylbenzoic acid,benzoic acid, 4-1,1-dimethylethyl,4-t-butylbenzoic acid,benzoic acid, p-tert-butyl,4-tert-butyl-benzoic acid,p-t-butylbenzoic acid,4-tert-butylbenzoicacid,unii-43z7t3vn0r PubChem CID: 7403 ChEBI: CHEBI:34443 IUPAC Name: 4-tert-butylbenzoic acid SMILES: CC(C)(C)C1=CC=C(C=C1)C(O)=O
4-Methoxyphenol, 98+%
CAS: 150-76-5 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00002332 InChI Key: NWVVVBRKAWDGAB-UHFFFAOYSA-N Synonym: mequinol,4-hydroxyanisole,p-hydroxyanisole,p-methoxyphenol,hydroquinone monomethyl ether,phenol, 4-methoxy,leucobasal,mehq,leucodine b,mechinolum PubChem CID: 9015 ChEBI: CHEBI:69441 IUPAC Name: 4-methoxyphenol SMILES: COC1=CC=C(O)C=C1
Methyl 2,5-difluoro-4-nitrobenzoate, 95%
CAS: 924868-81-5 Molecular Formula: C8H5F2NO4 Molecular Weight (g/mol): 217.13 MDL Number: MFCD08689670 InChI Key: XBUVRWIIEREYFL-UHFFFAOYSA-N Synonym: methyl 2,5-difluoro-4-nitrobenzenecarboxylate,methyl2,5-difluoro-4-nitrobenzoate,benzoic acid, 2,5-difluoro-4-nitro-, methyl ester,methyldifluoronitrobenzenecarboxylate,methyl-2,5-difluoro-4-nitrobenzoate,2,5-difluoro-4-methoxycarbonyl nitrobenzene,2,5-difluoro-4-nitro-benzoic acid methyl ester PubChem CID: 18526058 IUPAC Name: methyl 2,5-difluoro-4-nitrobenzoate SMILES: COC(=O)C1=CC(F)=C(C=C1F)[N+]([O-])=O
3-Ethoxy-4-methoxybenzaldehyde, 99%
CAS: 1131-52-8 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00010128 InChI Key: VAMZHXWLGRQSJS-UHFFFAOYSA-N Synonym: 3-ethoxy-4-methoxy-benzaldehyde,benzaldehyde, 3-ethoxy-4-methoxy,pubchem13135,3-ethoxy-p-anisaldehyde,acmc-1ca82,3-ethoxy-4methoxybenzaldehyde,3ethoxy-4-methoxybenzaldehyde,ksc183c6j,3-ethoxy-4-methoxybenzaldehyd,4-methoxy-3-ethoxybenzaldehyde PubChem CID: 244728 IUPAC Name: 3-ethoxy-4-methoxybenzaldehyde SMILES: CCOC1=C(C=CC(=C1)C=O)OC
Ethyl hippurate, 96%
CAS: 1499-53-2 Molecular Formula: C11H13NO3 Molecular Weight (g/mol): 207.23 MDL Number: MFCD00026890 InChI Key: PTXRQIPIELXJFH-UHFFFAOYSA-N Synonym: ethyl hippurate,ethyl n-benzoylglycinate,n-benzoylglycine ethyl ester,ethyl 2-phenylformamido acetate,benzoic amide, n-ethoxycarbonyl methyl,ethylhippurate,ethyl benzoylaminoacetate,acmc-1buir,hippuric acid ethyl ester,maybridge1_006087 PubChem CID: 226558 IUPAC Name: ethyl 2-benzamidoacetate SMILES: CCOC(=O)CNC(=O)C1=CC=CC=C1
2,5-Dichlorophenol, 98%
CAS: 583-78-8 Molecular Formula: C6H4Cl2O Molecular Weight (g/mol): 163.00 MDL Number: MFCD00002174 InChI Key: RANCECPPZPIPNO-UHFFFAOYSA-N Synonym: phenol, 2,5-dichloro,2,5-dichloro-phenol,2,5-dcp,unii-3b11g9akba,3,6-dichlorophenol,ccris 5903,3b11g9akba,dsstox_cid_5003,dsstox_rid_77621,dsstox_gsid_25003 PubChem CID: 66 ChEBI: CHEBI:27929 IUPAC Name: 2,5-dichlorophenol SMILES: OC1=CC(Cl)=CC=C1Cl
Methyl p-tolyl sulfide, 97%
CAS: 623-13-2 Molecular Formula: C8H10S Molecular Weight (g/mol): 138.23 MDL Number: MFCD00008560 InChI Key: VHILIAIEEYLJNA-UHFFFAOYSA-N Synonym: methyl p-tolyl sulfide,4-methylthioanisole,4-methylthio toluene,p-methylthio toluene,benzene, 1-methyl-4-methylthio,p-tolyl methyl sulfide,p-methylphenyl methyl sulfide,methyl p-cresyl sulfide,p-cresyl methyl sulfide PubChem CID: 69334 IUPAC Name: 1-methyl-4-methylsulfanylbenzene SMILES: CSC1=CC=C(C)C=C1
4-tert-Butyl-2,6-dinitrophenol, 97%
CAS: 4097-49-8 Molecular Formula: C10H12N2O5 Molecular Weight (g/mol): 240.22 MDL Number: MFCD00051969 InChI Key: NJBDTWSOYUZQPM-UHFFFAOYSA-N Synonym: 4-tert-butyl-2,6-dinitrophenol,2,6-dinitro-4-tert-butylphenol,unii-m5s512rl03,phenol, 4-1,1-dimethylethyl-2,6-dinitro,2,6-dinitro-p-tert-butyl phenol,phenol, 4-tert-butyl-2,6-dinitro,acmc-1am7s,2,6-dinitro-4-t-butylphenol,4-t-butyl-2,6-dinitrophenol PubChem CID: 20042 IUPAC Name: 4-tert-butyl-2,6-dinitrophenol SMILES: CC(C)(C)C1=CC(=C(O)C(=C1)[N+]([O-])=O)[N+]([O-])=O
4-Methoxybenzenesulfonamide, 98%
CAS: 1129-26-6 Molecular Formula: C7H9NO3S Molecular Weight (g/mol): 187.213 MDL Number: MFCD00025392 InChI Key: MSFQEZBRFPAFEX-UHFFFAOYSA-N Synonym: 4-methoxybenzenesulphonamide,p-methoxybenzenesulfonamide,4-methoxybenzene-1-sulfonamide,benzenesulfonamide, 4-methoxy,4-methoxy-benzenesulfonamide,benzenesulfonamide, p-methoxy,benzenesulfonamide, p-methoxy-6ci,7ci,8ci,3lka,p-anisolesulfonamide,acmc-1bvgf PubChem CID: 70789 IUPAC Name: 4-methoxybenzenesulfonamide SMILES: COC1=CC=C(C=C1)S(=O)(=O)N
Phenyl trifluoromethyl sulfide, 98%
CAS: 456-56-4 Molecular Formula: C7H5F3S Molecular Weight (g/mol): 178.17 MDL Number: MFCD00040839 InChI Key: YQQKTCBMKQQOSM-UHFFFAOYSA-N Synonym: phenyl trifluoromethyl sulfide,trifluoromethylthiobenzene,trifluoromethylthio benzene,trifluoromethyl thio benzene,benzene, trifluoromethyl thio,trifluoromethyl phenyl sulfide,phenyl trifluoromethyl sulphide,pubchem10400,phenyl trifluoromethylsulfide PubChem CID: 68011 IUPAC Name: trifluoromethylsulfanylbenzene SMILES: FC(F)(F)SC1=CC=CC=C1
2,6-Diisopropylphenyl isocyanate, 94%
CAS: 28178-42-9 Molecular Formula: C13H17NO Molecular Weight (g/mol): 203.29 MDL Number: MFCD00008882 InChI Key: FEUFNKALUGDEMQ-UHFFFAOYSA-N Synonym: 2,6-diisopropylphenyl isocyanate,2,6-diisopropylphenylisocyanate,2-isocyanato-1,3-diisopropylbenzene,benzene, 2-isocyanato-1,3-bis 1-methylethyl,isocyanic acid 2,6-diisopropylphenyl ester,isocyanic acid, 2,6-diisopropylphenyl ester,1,3-bis 1-methylethyl-2-isocyanatobenzene,2,6-bis 1-methylethyl phenyl isocyanate,2-isocyanato-1,3-di propan-2-yl benzene,benzene, 1,3-bis 1-methylethyl-2-isocyanato PubChem CID: 92259 IUPAC Name: 2-isocyanato-1,3-di(propan-2-yl)benzene SMILES: CC(C)C1=CC=CC(C(C)C)=C1N=C=O