Benzenoids
Terephthalic acid, 99+%
CAS: 100-21-0 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.13 MDL Number: MFCD00002558 InChI Key: KKEYFWRCBNTPAC-UHFFFAOYSA-N Synonym: p-phthalic acid,1,4-benzenedicarboxylic acid,benzene-1,4-dicarboxylic acid,p-dicarboxybenzene,p-benzenedicarboxylic acid,p-carboxybenzoic acid,acide terephtalique,para-phthalic acid,tephthol,1,4-dicarboxybenzene PubChem CID: 7489 ChEBI: CHEBI:15702 IUPAC Name: terephthalic acid SMILES: C1=CC(=CC=C1C(=O)O)C(=O)O
Ethyl benzoate, 99%
CAS: 93-89-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00009109 InChI Key: MTZQAGJQAFMTAQ-UHFFFAOYSA-N Synonym: benzoic acid, ethyl ester,benzoic ether,ethyl benzenecarboxylate,ethylbenzoate,benzoyl ethyl ether,benzoic acid ethyl ester,ethylester kyseliny benzoove,natural,unii-j115brj15h,fema no. 2422 PubChem CID: 7165 IUPAC Name: ethyl benzoate SMILES: CCOC(=O)C1=CC=CC=C1
Tri-p-tolylphosphine, 98%
CAS: 1038-95-5 Molecular Formula: C21H21P Molecular Weight (g/mol): 304.37 MDL Number: MFCD00008542 InChI Key: WXAZIUYTQHYBFW-UHFFFAOYSA-N Synonym: tri-p-tolylphosphine,tris 4-methylphenyl phosphine,tri p-tolyl phosphine,phosphine, tris 4-methylphenyl,tri-para-tolylphosphine,tris p-tolyl phosphine,phosphine, tri-p-tolyl,tris 4-methylphenyl phosphane,phosphine, tris p-tolyl,tri-p-tolyl phosphine PubChem CID: 13956 IUPAC Name: tris(4-methylphenyl)phosphane SMILES: CC1=CC=C(C=C1)P(C1=CC=C(C)C=C1)C1=CC=C(C)C=C1
2-Iodobenzoic acid, 98+%
CAS: 88-67-5 Molecular Formula: C7H5IO2 Molecular Weight (g/mol): 248.019 MDL Number: MFCD00002419 InChI Key: CJNZAXGUTKBIHP-UHFFFAOYSA-N Synonym: o-iodobenzoic acid,benzoic acid, 2-iodo,iodobenzoic acid,benzoic acid, o-iodo,usaf ek-572,2-iodo benzoic acid,2-iodo-benzoic acid,benzoic acid, iodo,kyselina o-jodbenzoova,o-jod-benzoesaeure PubChem CID: 6941 ChEBI: CHEBI:287979 IUPAC Name: 2-iodobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)I
3,4-Dimethylphenol, 99%
CAS: 95-65-8 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00002304 InChI Key: YCOXTKKNXUZSKD-UHFFFAOYSA-N Synonym: 3,4-xylenol,phenol, 3,4-dimethyl,4,5-dimethylphenol,3,4-dimethyl phenol,1,3,4-xylenol,4-hydroxy-1,2-dimethylbenzene,1-hydroxy-3,4-dimethylbenzene,3,4-dimethyl-phenol,3,4-dmp,ccris 723 PubChem CID: 7249 ChEBI: CHEBI:39839 IUPAC Name: 3,4-dimethylphenol SMILES: CC1=CC=C(O)C=C1C
5-Sulfosalicylic acid dihydrate, 98%
CAS: 5965-83-3 Molecular Formula: C9H14O6S Molecular Weight (g/mol): 250.27 MDL Number: MFCD00007508,MFCD00149540 InChI Key: NFYHZVWMQHQKRU-UHFFFAOYSA-N Synonym: 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd PubChem CID: 2723734 SMILES: C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
5-Hydroxy-1,4-naphthoquinone, 99%
CAS: 481-39-0 Molecular Formula: C10H6O3 Molecular Weight (g/mol): 174.16 MDL Number: MFCD00001684 InChI Key: KQPYUDDGWXQXHS-UHFFFAOYSA-N Synonym: juglone,5-hydroxy-1,4-naphthoquinone,5-hydroxy-1,4-naphthalenedione,regianin,walnut extract,juglon,nucin,5-hydroxynaphthoquinone,akhnot,yuglon PubChem CID: 3806 ChEBI: CHEBI:15794 IUPAC Name: 5-hydroxynaphthalene-1,4-dione SMILES: OC1=CC=CC2=C1C(=O)C=CC2=O
Coronene, 95%
CAS: 191-07-1 Molecular Formula: C24H12 Molecular Weight (g/mol): 300.36 MDL Number: MFCD00004134 InChI Key: VPUGDVKSAQVFFS-UHFFFAOYSA-N Synonym: hexabenzobenzene,dibenzo ghi,pqr perylene,superbenzene,unii-7yy0x5xt1w,ccris 908,7yy0x5xt1w,6 circulene,coronene,acmc-209eul PubChem CID: 9115 ChEBI: CHEBI:29863 IUPAC Name: coronene SMILES: C1=CC2=CC=C3C=CC4=CC=C5C=CC6=CC=C1C1=C2C3=C4C5=C61
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
N-(9H-Fluoren-2-ylmethoxycarbonyloxy)succinimide, 98%
CAS: 82911-69-1 Molecular Formula: C19H15NO5 Molecular Weight (g/mol): 337.29 MDL Number: MFCD00010733 InChI Key: WMSUFWLPZLCIHP-UHFFFAOYSA-N Synonym: fmoc-osu,n-9-fluorenylmethoxycarbonyloxy succinimide,fmoc-onsu,9-fluorenylmethyl succinimidyl carbonate,fmoc n-hydroxysuccinimide ester,9h-fluoren-9-yl methyl 2,5-dioxopyrrolidin-1-yl carbonate,9-fluorenylmethyl n-succinimidyl carbonate,9-fluorenylmethylsuccinimidyl carbonate,9-fluorenylmethoxycarbonyl-n-hydroxysuccinimide PubChem CID: 134122 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate SMILES: C1CC(=O)N(C1=O)OC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
Benzyl alcohol, ACS reagent
CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1
Fendiline hydrochloride
CAS: 13636-18-5 Molecular Formula: C23H26ClN Molecular Weight (g/mol): 351.918 MDL Number: MFCD00079301 InChI Key: NJXWZWXCHBNOOG-UHFFFAOYSA-N Synonym: fendiline hydrochloride,fendiline hcl,dsstox_cid_25860,dsstox_rid_81180,dsstox_gsid_45860,3,3-diphenyl-n-1-phenylethyl propan-1-amine hydrochloride,prestwick_568,sensit tn PubChem CID: 5702162 IUPAC Name: 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine;hydrochloride SMILES: CC(C1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3.Cl
Benzhydrol, 99%
CAS: 91-01-0 Molecular Formula: C13H12O Molecular Weight (g/mol): 184.238 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
3-Fluorobenzoyl chloride, 98%
CAS: 1711-07-5 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.556 MDL Number: MFCD00000670 InChI Key: SYVNVEGIRVXRQH-UHFFFAOYSA-N Synonym: m-fluorobenzoyl chloride,benzoyl chloride, 3-fluoro,benzoyl chloride, m-fluoro,m-fluorobenzoic acid chloride,3-fluorobenzoic acid chloride,3-fluorobenzoylchloride,gvr cf,m-fluorobenzoylchloride,pubchem19742,m-fluoro-benzoylchloride PubChem CID: 74376 IUPAC Name: 3-fluorobenzoyl chloride SMILES: C1=CC(=CC(=C1)F)C(=O)Cl
3-(Trifluoromethyl)benzoyl chloride, 98%
CAS: 2251-65-2 Molecular Formula: C8H4ClF3O Molecular Weight (g/mol): 208.57 MDL Number: MFCD00000680 InChI Key: RUJYJCANMOTJMO-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzoyl chloride,benzoyl chloride, 3-trifluoromethyl,m-trifluoromethyl benzoyl chloride,m-trifluoromethylbenzoyl chloride,alpha,alpha,alpha-trifluoro-m-toluoyl chloride,3-trifluoromethyl benzoylchloride,3-trifluoromethyl-benzoyl chloride,alpha,alpha,alpha-trifluoro-m-tolyl chloride,pubchem5468 PubChem CID: 75257 IUPAC Name: 3-(trifluoromethyl)benzoyl chloride SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl