Benzene and substituted derivatives
4-Nitroanisole, 99+%
CAS: 100-17-4 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007327 InChI Key: BNUHAJGCKIQFGE-UHFFFAOYSA-N Synonym: 4-nitroanisole,p-nitroanisole,4-methoxynitrobenzene,p-methoxynitrobenzene,benzene, 1-methoxy-4-nitro,nitroanisole,p-nitroanisol,anisole, p-nitro,4-nitrophenyl methyl ether,unii-g989z7wolh PubChem CID: 7485 ChEBI: CHEBI:1911 IUPAC Name: 1-methoxy-4-nitrobenzene SMILES: COC1=CC=C(C=C1)[N+]([O-])=O
Celecoxib 98.0+%, TCI America™
CAS: 169590-42-5 Molecular Formula: C17H14F3N3O2S Molecular Weight (g/mol): 381.373 MDL Number: MFCD00941298 InChI Key: RZEKVGVHFLEQIL-UHFFFAOYSA-N Synonym: celecoxib,celebrex,celebra,onsenal,celocoxib,celecox,xilebao,4-5-4-methylphenyl-3-trifluoromethyl-1h-pyrazol-1-yl benzenesulfonamide,celecoxib usan,celecoxib old rn PubChem CID: 2662 ChEBI: CHEBI:41423 IUPAC Name: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide SMILES: CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
2,6-Diisopropylaniline, 90+%
CAS: 24544-04-5 Molecular Formula: C12H19N Molecular Weight (g/mol): 177.291 MDL Number: MFCD00008887 InChI Key: WKBALTUBRZPIPZ-UHFFFAOYSA-N Synonym: 2,6-diisopropylaniline,benzenamine, 2,6-bis 1-methylethyl,2,6-diisopropyl aniline,aniline, 2,6-diisopropyl,diisopropylaniline,2,6-diisopropylphenylamine,2,6-bis propan-2-yl aniline,2,6-dilsopropylaniline,2,6-di propan-2-yl aniline,2,6-bis 1-methylethyl aniline PubChem CID: 32484 IUPAC Name: 2,6-di(propan-2-yl)aniline SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N
Thermo Scientific Chemicals Citalopram hydrobromide
CAS: 59729-32-7 Molecular Formula: C20H21FN2O·HBr Molecular Weight (g/mol): 405.3 InChI Key: WIHMBLDNRMIGDW-UHFFFAOYSA-N Synonym: citalopram hydrobromide,citalopram hbr,cipramil,celexa,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromide,elopram,seropram,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydro-5-isobenzofurancarbonitrile hydrobromide,citalopram hydrobromide usan PubChem CID: 77995 IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br
Benzhydrol, 99%
CAS: 91-01-0 Molecular Formula: C13H12O Molecular Weight (g/mol): 184.24 MDL Number: MFCD00004488 InChI Key: QILSFLSDHQAZET-UHFFFAOYSA-N Synonym: benzhydrol,diphenylcarbinol,benzohydrol,benzhydryl alcohol,hydroxydiphenylmethane,diphenylmethyl alcohol,diphenyl carbinol,alpha-phenylbenzenemethanol,diphenyl-methanol,benzenemethanol, .alpha.-phenyl PubChem CID: 7037 IUPAC Name: diphenylmethanol SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)O
4-Fluoro-alpha-methylstyrene, 95%
CAS: 350-40-3 Molecular Formula: C9H9F Molecular Weight (g/mol): 136.169 MDL Number: MFCD00042297 InChI Key: VIXHMBLBLJSGIB-UHFFFAOYSA-N Synonym: 4-fluoro-alpha-methylstyrene,1-fluoro-4-1-methylethenyl benzene,1-fluoro-4-prop-1-en-2-yl benzene,2-4-fluorophenyl-1-propene,2-4-fluorophenyl propene,benzene, 1-fluoro-4-1-methylethenyl,4-fluoro-.alpha.-methylstyrene,1-fluoro-4-isopropenyl benzene,1-fluoro-4-isopropenylbenzene,p-fluoro-.alpha.-methylstyrene PubChem CID: 67690 IUPAC Name: 1-fluoro-4-prop-1-en-2-ylbenzene SMILES: CC(=C)C1=CC=C(C=C1)F
3-Methylbenzophenone, 98+%
CAS: 643-65-2 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.25 MDL Number: MFCD00008535 InChI Key: URBLVRAVOIVZFJ-UHFFFAOYSA-N Synonym: 3-methylbenzophenone,3-methyl-benzophenone,phenyl m-tolyl methanone,benzophenone, 3-methyl,3-methylphenyl-phenylmethanone,methanone, 3-methylphenyl phenyl,3-methylphenyl phenyl ketone,3-benzoyltoluene,m-methylbenzophenone,zlchem 905 PubChem CID: 69511 IUPAC Name: (3-methylphenyl)-phenylmethanone SMILES: CC1=CC=CC(=C1)C(=O)C1=CC=CC=C1
3-Nitrobenzoic acid, 99%
CAS: 121-92-6 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007251 InChI Key: AFPHTEQTJZKQAQ-UHFFFAOYSA-N Synonym: 3-nitrobenzoic acid,m-nitrobenzoic acid,benzoic acid, 3-nitro,benzoic acid, m-nitro,meta-nitrobenzoic acid,metanitrobenzoic acid,m-nitrobenzenecarboxylic acid,3-nitro-benzoic acid,ccris 2335,nitrobenzoic 3-acid PubChem CID: 8497 SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
1,2-Phthalic dicarboxaldehyde, 98+%
CAS: 643-79-8 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.13 MDL Number: MFCD00003335 InChI Key: ZWLUXSQADUDCSB-UHFFFAOYSA-N Synonym: o-phthalaldehyde,o-phthaldialdehyde,benzene-1,2-dicarboxaldehyde,1,2-benzenedicarboxaldehyde,phthaldialdehyde,phthalic aldehyde,phthalic dialdehyde,phthalyldicarboxaldehyde,ortho-phthalaldehyde,o-phthaldehyde PubChem CID: 4807 ChEBI: CHEBI:70851 IUPAC Name: phthalaldehyde SMILES: O=CC1=CC=CC=C1C=O
3,5-Dichlorobenzoic acid, 99%
CAS: 51-36-5 Molecular Formula: C7H4Cl2O2 Molecular Weight (g/mol): 191.007 MDL Number: MFCD00002494 InChI Key: CXKCZFDUOYMOOP-UHFFFAOYSA-N Synonym: benzoic acid, 3,5-dichloro,3,5-dichloro-benzoic acid,unii-7baa7r70gn,7baa7r70gn,ccris 8611,acmc-209ktc,3,5-dichlorobenzoicacid,3,5-dichlorobenzic acid,3 5-dichlorobenzoic acid,dsstox_cid_4981 PubChem CID: 5811 IUPAC Name: 3,5-dichlorobenzoic acid SMILES: C1=C(C=C(C=C1Cl)Cl)C(=O)O
Phenyl chloroformate, 99%
CAS: 1885-14-9 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.57 MDL Number: MFCD00000637 InChI Key: AHWALFGBDFAJAI-UHFFFAOYSA-N Synonym: phenyl chloroformate,chloroformic acid phenyl ester,phenyl chlorocarbonate,carbonochloridic acid, phenyl ester,phenoxycarbonyl chloride,formic acid, chloro-, phenyl ester,fenylester kyseliny chlormravenci,phenylchloroformate,unii-6tnd0d6d3y,6tnd0d6d3y PubChem CID: 15891 IUPAC Name: phenyl carbonochloridate SMILES: ClC(=O)OC1=CC=CC=C1
2-Isopropylphenol, 98+%
CAS: 88-69-7 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00002224 InChI Key: CRBJBYGJVIBWIY-UHFFFAOYSA-N Synonym: 2-isopropylphenol,o-hydroxycumene,o-isopropylphenol,o-cumenol,1-hydroxy-2-isopropylbenzene,2-propan-2-yl phenol,2-1-methylethyl phenol,phenol, o-isopropyl,phenol, 2-1-methylethyl,isopropylphenol PubChem CID: 6943 ChEBI: CHEBI:38506 IUPAC Name: 2-propan-2-ylphenol SMILES: CC(C)C1=CC=CC=C1O
3,5-Di-tert-butyl-4-hydroxybenzyl alcohol, 97%
CAS: 88-26-6 Molecular Formula: C15H24O2 Molecular Weight (g/mol): 236.355 MDL Number: MFCD00017254 InChI Key: HNURKXXMYARGAY-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyl-4-hydroxybenzyl alcohol,2,6-di-tert-butyl-4-hydroxymethyl phenol,2,6-di-tert-butyl-4-hydroxymethylphenol,bht alcohol,antioxidant 754,ionox 100,ionox 100 antioxidant,3,5-di-t-butyl-4-hydroxybenzyl alcohol,butylated hydroxymethylphenol,2,6-di-t-butyl-4-hydroxymethylphenol PubChem CID: 6929 IUPAC Name: 2,6-ditert-butyl-4-(hydroxymethyl)phenol SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO
4-Methoxybenzoic acid, 98+%
CAS: 100-09-4 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002542 InChI Key: ZEYHEAKUIGZSGI-UHFFFAOYSA-N Synonym: p-anisic acid,anisic acid,p-methoxybenzoic acid,draconic acid,4-anisic acid,benzoic acid, 4-methoxy,anisic acid, para,4-methoxybenzoate,para-anisic acid,anisic acid, p-isomer PubChem CID: 7478 ChEBI: CHEBI:40813 IUPAC Name: 4-methoxybenzoic acid SMILES: COC1=CC=C(C=C1)C(O)=O
3-Fluorobenzylamine, 97%
CAS: 100-82-3 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD00008113 InChI Key: QVSVMNXRLWSNGS-UHFFFAOYSA-N Synonym: 3-fluorobenzylamine,3-fluorophenyl methanamine,m-fluorobenzylamine,benzenemethanamine, 3-fluoro,1-3-fluorophenyl methanamine,3-fluoro-benzylamine,benzylamine, m-fluoro,3-fluorophenyl methylamine,m-fluorobenzyl amine,3-fluorobenzyl amine PubChem CID: 66853 IUPAC Name: (3-fluorophenyl)methanamine SMILES: C1=CC(=CC(=C1)F)CN