Product Name

  • Name

    3',5'-DIFLUOROBIPHENYL-3-CARBALDEHYDE

  • EINECS
  • CAS No. 656306-74-0
  • Density 1.248 g/cm3
  • Solubility
  • Melting Point
  • Formula C13H8F2O
  • Boiling Point 327.5 °C at 760 mmHg
  • Molecular Weight 218.2
  • Flash Point 125.6 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 656306-74-0 (3',5'-DIFLUOROBIPHENYL-3-CARBALDEHYDE)
  • Hazard Symbols
  • Synonyms 3',5'-Difluorobiphenyl-3-carbaldehyde;3-(3,5-Difluorophenyl)benzaldehyde;
  • PSA 17.07000
  • LogP 3.44430

[1,1'-Biphenyl]-3-carboxaldehyde,3',5'-difluoro- Specification

This chemical is called [1,1'-Biphenyl]-3-carboxaldehyde,3',5'-difluoro-, and it can also be named as 3-(3,5-Difluorophenyl)benzaldehyde. With the molecular formula of C13H8F2O, its molecular weight is 218.2. The CAS registry number of this chemical is 656306-74-0, and its systematic name is 3',5'-Difluorobiphenyl-3-carbaldehyde. 

Other characteristics of the [1,1'-Biphenyl]-3-carboxaldehyde,3',5'-difluoro- can be summarised as followings: (1)ACD/LogP: 4.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.22; (4)ACD/LogD (pH 7.4): 4.22; (5)ACD/BCF (pH 5.5): 949.44; (6)ACD/BCF (pH 7.4): 949.44; (7)ACD/KOC (pH 5.5): 4708.39; (8)ACD/KOC (pH 7.4): 4708.39; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 57.58 cm3; (15)Molar Volume: 174.8 cm3; (16)Polarizability: 22.82×10-24 cm3; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.248 g/cm3; (19)Flash Point: 125.6 °C; (20)Enthalpy of Vaporization: 56.98 kJ/mol; (21)Boiling Point: 327.5 °C at 760 mmHg ; (22)Vapour Pressure: 0.000202 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Fc2cc(c1cccc(C=O)c1)cc(F)c2
2.InChI: InChI=1/C13H8F2O/c14-12-5-11(6-13(15)7-12)10-3-1-2-9(4-10)8-16/h1-8H
3.InChIKey: DCCUWDBZWCZMFU-UHFFFAOYAJ

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