[4-(4-bromophenyl)phenyl](phenyl)methanone

• ChemBase ID: 88894
• Molecular Formular: C19H13BrO
• Molecular Mass: 337.20992
• Monoisotopic Mass: 336.01497704
• SMILES: Brc1ccc(cc1)c1ccc(cc1)C(=O)c1ccccc1
• Canonical SMILES: Brc1ccc(cc1)c1ccc(cc1)C(=O)c1ccccc1
• InChI: InChI=1S/C19H13BrO/c20-18-12-10-15(11-13-18)14-6-8-17(9-7-14)19(21)16-4-2-1-3-5-16/h1-13H
• InChIKey: ITMLYLPKSFZCJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(4-bromophenyl)phenyl](phenyl)methanone
• IUPAC Traditional name: [4-(4-bromophenyl)phenyl](phenyl)methanone
• Synonyms: 4-Benzoyl-4'-bromobiphenyl; 4-Benzoyl-4′-bromobiphenyl; 4-(4-Bromophenyl)benzophenone; 4-Benzoyl-4'-bromobiphenyl; 4-苯甲酰-4′-溴联苯; 4-苯甲酰基-4'-溴联苯

Database IDs

• CAS Number: 63242-14-8
• MDL Number: MFCD00209630
• Beilstein Number: 2378429
• PubChem SID: 24877645; 162075791
• PubChem CID: 478901

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.848577
• LogD (pH = 7.4): 5.848577
• Log P: 5.848577
• Molar Refractivity: 89.3925 cm^3
• Polarizability: 35.56283 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 155-158°C; 157-161 °C(lit.)

Safety Information

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

Product Information

• Purity: 97%; 99%
• Linear Formula: Br(C6H4)2COC6H5