(2,5-dichlorophenyl)(phenyl)methanone

• ChemBase ID: 9084
• Molecular Formular: C13H8Cl2O
• Molecular Mass: 251.10802
• Monoisotopic Mass: 249.99522024
• SMILES: c1(ccc(c(c1)C(=O)c1ccccc1)Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)C(=O)c1ccccc1)Cl
• InChI: InChI=1S/C13H8Cl2O/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H
• InChIKey: FAVKIHMGRWRACA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,5-dichlorophenyl)(phenyl)methanone
• IUPAC Traditional name: (2,5-dichlorophenyl)(phenyl)methanone
• Synonyms: (2,5-Dichlorophenyl)(phenyl)methanone; 2,5-Dichlorobenzophenone; 2,5-Dichlorobenzophenone 98%

Database IDs

• CAS Number: 16611-67-9
• MDL Number: MFCD00079746
• PubChem SID: 160972391
• PubChem CID: 458188

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.6406884
• LogD (pH = 7.4): 4.6406884
• Log P: 4.6406884
• Molar Refractivity: 66.2431 cm^3
• Polarizability: 25.720488 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 87-88°C; 88-90°C

Safety Information

• Storage Warning: Harmful; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%