Benzene and substituted derivatives
Nimesulide
CAS: 51803-78-2 Molecular Formula: C13H12N2O5S Molecular Weight (g/mol): 308.308 MDL Number: MFCD00079470 InChI Key: HYWYRSMBCFDLJT-UHFFFAOYSA-N Synonym: nimesulide,mesulid,n-4-nitro-2-phenoxyphenyl methanesulfonamide,flogovital,sulidene,nimed,4-nitro-2-phenoxymethanesulfonanilide,nisulid,nimesulidum inn-latin,nimesulida inn-spanish PubChem CID: 4495 ChEBI: CHEBI:44445 IUPAC Name: N-(4-nitro-2-phenoxyphenyl)methanesulfonamide SMILES: CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2
n-Propyl 4-hydroxybenzoate, 99+%
CAS: 94-13-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00002354 InChI Key: QELSKZZBTMNZEB-UHFFFAOYSA-N Synonym: propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept PubChem CID: 7175 ChEBI: CHEBI:32063 IUPAC Name: propyl 4-hydroxybenzoate SMILES: CCCOC(=O)C1=CC=C(C=C1)O
4-(Methylamino)benzoic acid, 97%
CAS: 10541-83-0 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00002535 InChI Key: ZVIDMSBTYRSMAR-UHFFFAOYSA-N Synonym: 4-methylamino benzoic acid,benzoic acid, 4-methylamino,p-methylaminobenzoic acid,n-methyl-4-aminobenzoic acid,4-n-methylamino benzoic acid,n-methyl-4-aminobenzoate,benzoic acid, p-methylamino,4-methylamino-benzoic acid,p-methylamino benzoic acid,p-n-methylamino benzoic acid PubChem CID: 66345 ChEBI: CHEBI:7308 IUPAC Name: 4-(methylamino)benzoic acid SMILES: CNC1=CC=C(C=C1)C(=O)O
3,5-Diaminobenzoic acid, 96%, may contain up to 3% moisture
CAS: 535-87-5 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00007807 InChI Key: UENRXLSRMCSUSN-UHFFFAOYSA-N Synonym: benzoic acid, 3,5-diamino,1-carboxy-3,5-diaminobenzene,ccris 2885,3,5-diamino benzoic acid,3,5-diaminobenzoicacid,dabz,pubchem21025,3,5-diaminebenzoicacid,acmc-1awxi,3,5-diamino-benzoic acid PubChem CID: 12062 IUPAC Name: 3,5-diaminobenzoic acid SMILES: C1=C(C=C(C=C1N)N)C(=O)O
Phenylbis(2,4,6-trimethylbenzoyl)phosphine Oxide 96.0+%, TCI America™
CAS: 162881-26-7 Molecular Formula: C26H27O3P Molecular Weight (g/mol): 418.473 MDL Number: MFCD01863675 InChI Key: GUCYFKSBFREPBC-UHFFFAOYSA-N Synonym: BAPO PubChem CID: 164512 IUPAC Name: [phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone SMILES: CC1=CC(=C(C(=C1)C)C(=O)P(=O)(C2=CC=CC=C2)C(=O)C3=C(C=C(C=C3C)C)C)C
Bezafibrate, 98+%
CAS: 41859-67-0 Molecular Formula: C19H20ClNO4 Molecular Weight (g/mol): 361.82 MDL Number: MFCD00078970 InChI Key: IIBYAHWJQTYFKB-UHFFFAOYSA-N Synonym: bezafibrate,bezalip,cedur,bezafibrat,befizal,bezafibrato,bezafibratum,sklerofibrat,azufibrat,difaterol PubChem CID: 39042 ChEBI: CHEBI:47612 IUPAC Name: 2-(4-{2-[(4-chlorophenyl)formamido]ethyl}phenoxy)-2-methylpropanoic acid SMILES: CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O
Isobutyl 4-hydroxybenzoate, 98%
CAS: 2-3-4247 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00020167 InChI Key: XPJVKCRENWUEJH-UHFFFAOYSA-N Synonym: isobutyl 4-hydroxybenzoate,isobutylparaben,isobutyl p-hydroxybenzoate,isobutyl paraben,isobutyl-4-hydroxybenzoate,isobutyl parahydroxybenzoate,4-hydroxybenzoic acid isobutyl ester,benzoic acid, 4-hydroxy-, 2-methylpropyl ester,p-oxybenzoesaureisobutylester,unii-0qqj25x58g PubChem CID: 20240 IUPAC Name: 2-methylpropyl 4-hydroxybenzoate SMILES: CC(C)COC(=O)C1=CC=C(C=C1)O
Methyl vanillate, 99%
CAS: 3943-74-6 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00008438 InChI Key: BVWTXUYLKBHMOX-UHFFFAOYSA-N Synonym: methyl vanillate,methyl 3-methoxy-4-hydroxybenzoate,vanillic acid, methyl ester,4-hydroxy-3-methoxybenzoic acid methyl ester,methylvanillate,benzoic acid, 4-hydroxy-3-methoxy-, methyl ester,vanillic acid methyl ester,unii-2hxg8qso3d,2hxg8qso3d,vxx PubChem CID: 19844 ChEBI: CHEBI:46477 IUPAC Name: methyl 4-hydroxy-3-methoxybenzoate SMILES: COC1=C(C=CC(=C1)C(=O)OC)O
Benzotrifluoride, 99%
CAS: 98-08-8 Molecular Formula: C7H5F3 Molecular Weight (g/mol): 146.112 MDL Number: MFCD00000372 InChI Key: GETTZEONDQJALK-UHFFFAOYSA-N Synonym: benzotrifluoride,trifluoromethyl benzene,alpha,alpha,alpha-trifluorotoluene,phenylfluoroform,benzene, trifluoromethyl,benzenyl fluoride,benzylidyne fluoride,usaf ma-16,a,a,a-trifluorotoluene,trifluoro toluene PubChem CID: 7368 ChEBI: CHEBI:36810 IUPAC Name: trifluoromethylbenzene SMILES: C1=CC=C(C=C1)C(F)(F)F
4-Hydroxy-4'-nitrostilbene, 98%
CAS: 19221-08-0 Molecular Formula: C14H11NO3 Molecular Weight (g/mol): 241.246 MDL Number: MFCD00017044 InChI Key: OETQWIHJPIESQB-OWOJBTEDSA-N Synonym: 4-hydroxy-4'-nitrostilbene,4-4-nitrostyryl phenol,4-e-2-4-nitrophenyl ethenyl phenol,4-hydroxy-4/'-nitrostilbene,4-1e-2-4-nitrophenyl vinyl phenol,4'-nitrostilben-4-ol,cambridge id 5309411,e-4'-nitrostilbene-4-ol,e-4-4-nitrostyryl phenol PubChem CID: 759250 IUPAC Name: 4-[(E)-2-(4-nitrophenyl)ethenyl]phenol SMILES: C1=CC(=CC=C1C=CC2=CC=C(C=C2)O)[N+](=O)[O-]
alpha,alpha'-Dibromo-m-xylene, 97%
CAS: 626-15-3 Molecular Formula: C8H8Br2 Molecular Weight (g/mol): 263.95 InChI Key: OXHOPZLBSSTTBU-UHFFFAOYSA-N Synonym: 1,3-bis bromomethyl benzene,m-xylylene dibromide,alpha,alpha'-dibromo-m-xylene,benzene, 1,3-bis bromomethyl,m-bis bromomethyl benzene,m-xylylene bromide,ccris 1777,m-xylyene dibromide,m-xylene, .alpha.,.alpha.'-dibromo,m-.alpha.,.alpha.'-dibromoxylene PubChem CID: 69373 IUPAC Name: 1,3-bis(bromomethyl)benzene SMILES: C1=CC(=CC(=C1)CBr)CBr
2-Amino-5-(trifluoromethyl)benzoic acid, 95%
CAS: 83265-53-6 Molecular Formula: C8H6F3NO2 Molecular Weight (g/mol): 205.136 MDL Number: MFCD01569537 InChI Key: GLCQUPLYYXSPQB-UHFFFAOYSA-N Synonym: 2-amino-5-trifluoromethyl benzoic acid,2-amino-5-trifluoromethyl-benzoic acid,5-trifluoromethylanthranilic acid,5-trifluoromethyl anthranilic acid,benzoic acid, 2-amino-5-trifluoromethyl,2-amino-5-trifluoromethyl-benzoicacid,pubchem12904,4-amino-3-carboxybenzotrifluoride,2-carboxy-4-trifluoromethyl aniline,2-amino-5-trifluoromethyl benzoicacid PubChem CID: 10465535 IUPAC Name: 2-amino-5-(trifluoromethyl)benzoic acid SMILES: C1=CC(=C(C=C1C(F)(F)F)C(=O)O)N
o-Toluic acid, 98+%
CAS: 118-90-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002477 InChI Key: ZWLPBLYKEWSWPD-UHFFFAOYSA-N Synonym: o-toluic acid,o-toluylic acid,orthotoluic acid,2-toluic acid,toluic acid,benzoic acid, 2-methyl,o-methylbenzoic acid,2-methyl-benzoic acid,benzoic acid, methyl,o-toluate PubChem CID: 8373 ChEBI: CHEBI:36632 IUPAC Name: 2-methylbenzoic acid SMILES: CC1=CC=CC=C1C(=O)O
trans-beta-Styrylboronic acid, 97%
CAS: 6783-05-7 MDL Number: MFCD00963621
4-tert-Butylcatechol, 99%
CAS: 98-29-3 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00002201 InChI Key: XESZUVZBAMCAEJ-UHFFFAOYSA-N Synonym: 4-tert-butylcatechol,p-tert-butylcatechol,4-tert-butylpyrocatechol,p-tert-butyl catechol,4-tert-butyl benzene-1,2-diol,4-t-butylpyrocatechol,p-tert-butylpyrocatechol,4-t-butylcatechol,1,2-benzenediol, 4-1,1-dimethylethyl,4-tert-butylcatechin PubChem CID: 7381 IUPAC Name: 4-tert-butylbenzene-1,2-diol SMILES: CC(C)(C)C1=CC=C(O)C(O)=C1