Product Name

  • Name

    (4'-Methoxybiphenyl-4-yl)-phenyl-methanone

  • EINECS
  • CAS No. 68294-33-7
  • Article Data23
  • CAS DataBase
  • Density 1.122 g/cm3
  • Solubility
  • Melting Point 167-168℃
  • Formula C20H16O2
  • Boiling Point 451 °C at 760 mmHg
  • Molecular Weight 288.346
  • Flash Point 198.9 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 68294-33-7 ((4'-Methoxybiphenyl-4-yl)-phenyl-methanone)
  • Hazard Symbols
  • Synonyms (4'-Methoxybiphenyl-4-yl)(phenyl)methanone;
  • PSA 26.30000
  • LogP 4.59320

(4'-Methoxybiphenyl-4-yl)-phenyl-methanone Specification

The (4'-Methoxybiphenyl-4-yl)-phenyl-methanone has CAS registry number 68294-33-7. This chemical's molecular formula is C20H16O2 and molecular weight is 288.34. What's more, its systematic name is (4'-Methoxybiphenyl-4-yl)(phenyl)methanone.

Physical properties about (4'-Methoxybiphenyl-4-yl)-phenyl-methanone are: (1)ACD/LogP: 5.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.18; (4)ACD/LogD (pH 7.4): 5.18; (5)ACD/BCF (pH 5.5): 5106.74; (6)ACD/BCF (pH 7.4): 5106.74; (7)ACD/KOC (pH 5.5): 15699.36; (8)ACD/KOC (pH 7.4): 15699.36; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 87.31 cm3; (15)Molar Volume: 256.8 cm3; (16)Polarizability: 34.61×10-24 cm3; (17)Surface Tension: 42.8 dyne/cm; (18)Density: 1.122 g/cm3; (19)Flash Point: 198.9 °C; (20)Enthalpy of Vaporization: 70.99 kJ/mol; (21)Boiling Point: 451 °C at 760 mmHg; (22)Vapour Pressure: 2.53E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccccc1)c3ccc(c2ccc(OC)cc2)cc3
(2) InChI: InChI=1/C20H16O2/c1-22-19-13-11-16(12-14-19)15-7-9-18(10-8-15)20(21)17-5-3-2-4-6-17/h2-14H,1H3
(3) InChIKey: CSEADVGOSDRCEL-UHFFFAOYAA

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