1-benzyl-4-phenylbenzene

• ChemBase ID: 295359
• Molecular Formular: C19H16
• Molecular Mass: 244.33034
• Monoisotopic Mass: 244.12520051
• SMILES: c1ccc(cc1)Cc1ccc(cc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)Cc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C19H16/c1-3-7-16(8-4-1)15-17-11-13-19(14-12-17)18-9-5-2-6-10-18/h1-14H,15H2
• InChIKey: AGPLQTQFIZBOLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-4-phenylbenzene
• IUPAC Traditional name: 4-benzylbiphenyl
• Synonyms: 4-Benzylbiphenyl; 4-苄基联苯

Database IDs

• CAS Number: 613-42-3
• EC Number: 210-341-9
• MDL Number: MFCD00041831
• Beilstein Number: 2047066
• PubChem SID: 180680890
• PubChem CID: 69174

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.712265
• LogD (pH = 7.4): 5.712265
• Log P: 5.712265
• Molar Refractivity: 80.9314 cm^3
• Polarizability: 32.931675 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 84-87°C
• Boiling Point: 285-286°C/110mm
• Flash Point: 208°C(406°F)

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98+%