(3,5-dichlorophenyl)(2,4-dimethylphenyl)methanone

• ChemBase ID: 73981
• Molecular Formular: C15H12Cl2O
• Molecular Mass: 279.16118
• Monoisotopic Mass: 278.02652036
• SMILES: O=C(c1c(cc(cc1)C)C)c1cc(cc(c1)Cl)Cl
• Canonical SMILES: Cc1ccc(c(c1)C)C(=O)c1cc(Cl)cc(c1)Cl
• InChI: InChI=1S/C15H12Cl2O/c1-9-3-4-14(10(2)5-9)15(18)11-6-12(16)8-13(17)7-11/h3-8H,1-2H3
• InChIKey: SENBILWASAFEOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,5-dichlorophenyl)(2,4-dimethylphenyl)methanone
• IUPAC Traditional name: (3,5-dichlorophenyl)(2,4-dimethylphenyl)methanone
• Synonyms: 3,5-Dichloro-2',4'-dimethylbenzophenone; 3,5-Dichloro-2'4'-dimethylbenzophenone; 3,5-二氯-2',4'-二甲基苯甲酮

Database IDs

• CAS Number: 306937-29-1
• MDL Number: MFCD00833417
• PubChem SID: 162038900
• PubChem CID: 2735982

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.667531
• LogD (pH = 7.4): 5.667531
• Log P: 5.667531
• Molar Refractivity: 76.3255 cm^3
• Polarizability: 29.23838 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 55-58°C; 57-59°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%