bis(2-chlorophenyl)methanone

• ChemBase ID: 112479
• Molecular Formular: C13H8Cl2O
• Molecular Mass: 251.10802
• Monoisotopic Mass: 249.99522024
• SMILES: Clc1ccccc1C(=O)c1ccccc1Cl
• Canonical SMILES: Clc1ccccc1C(=O)c1ccccc1Cl
• InChI: InChI=1S/C13H8Cl2O/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8H
• InChIKey: DRDRZHJTTDSOPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-chlorophenyl)methanone
• IUPAC Traditional name: bis(2-chlorophenyl)methanone
• Synonyms: 2,2'-Dichlorobenzophenone; 2,2'-DICHLOROBENZOPHENONE; bis(2-chlorophenyl)methanone; 2,2'-二氯苯并苯酮

Database IDs

• CAS Number: 5293-97-0
• MDL Number: MFCD00039303
• Beilstein Number: 2050630
• PubChem SID: 162097494
• PubChem CID: 347097

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: 25.735687 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 44 - 46°C; 50-53°C; 52°C
• Hydrophobicity(logP): 4.188

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• 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: 95%; 98+%

DETAILS

MP Biomedicals - 05224284

MP Biomedicals Rare Chemical collection