(3-benzoylphenyl)(phenyl)methanone

• ChemBase ID: 112476
• Molecular Formular: C20H14O2
• Molecular Mass: 286.32396
• Monoisotopic Mass: 286.09937969
• SMILES: O=C(c1ccccc1)c1cc(ccc1)C(=O)c1ccccc1
• Canonical SMILES: O=C(c1ccccc1)c1cccc(c1)C(=O)c1ccccc1
• InChI: InChI=1S/C20H14O2/c21-19(15-8-3-1-4-9-15)17-12-7-13-18(14-17)20(22)16-10-5-2-6-11-16/h1-14H
• InChIKey: MJQHDSIEDGPFAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-benzoylphenyl)(phenyl)methanone
• IUPAC Traditional name: (3-benzoylphenyl)(phenyl)methanone
• Synonyms: m-DIBENZOYL BENZENE; 1,3-Dibenzoylbenzene; 3-Benzoylbenzophenone; 1,3-Phenylenebis(phenylmethanone); 1,3-联苯甲酰基苯; 1,3-二苯甲酰基苯

Database IDs

• CAS Number: 3770-82-9
• EC Number: 223-210-6
• MDL Number: MFCD00014086
• Beilstein Number: 1973337
• PubChem SID: 162106749; 24864420
• PubChem CID: 77388

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.891952
• LogD (pH = 7.4): 4.891952
• Log P: 4.891952
• Molar Refractivity: 87.209 cm^3
• Polarizability: 33.676735 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 105-108 °C(lit.); 98-99°C

Safety Information

• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95+%; 98%; 98+%
• Linear Formula: C6H4(COC6H5)2

DETAILS

MP Biomedicals - 05224253

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 392057

Packaging
1, 5 g in glass bottle