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2,2',3,3',4,6,6'-Heptachlorobiphenyl

  • Name 2,2',3,3',4,6,6'-Heptachlorobiphenyl
  • EINECSN/A
  • CAS No. 52663-65-7
  • Density1.658 g/cm3
  • PSA0.00000
  • LogP7.92740
  • Solubility5.85ug/L(20 oC)
  • Melting Point131.31°C (estimate)
  • FormulaC12H3Cl7
  • Boiling Point395.1 °C at 760 mmHg
  • Molecular Weight395.327
  • Flash Point189.2 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 52663-65-7 (2,2',3,3',4,6,6'-Heptachlorobiphenyl)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data2

2,2',3,3',4,6,6'-Heptachlorobiphenyl Specification

The CAS register number of 1,1'-Biphenyl,2,2',3,3',4,6,6'-heptachloro- is 52663-65-7. It also can be called as 2,2',3,3',4,6,6'-Heptachlorobiphenyl and the IUPAC name about this chemical is 1,2,3,5-tetrachloro-4-(2,3,6-trichlorophenyl)benzene. The molecular formula about this chemical is C12H3Cl7 and the molecular weight is 395.32.

Physical properties about 1,1'-Biphenyl,2,2',3,3',4,6,6'-heptachloro- are: (1)ACD/LogP: 7.12; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.12; (4)ACD/LogD (pH 7.4): 7.12; (5)ACD/BCF (pH 5.5): 151666.31; (6)ACD/BCF (pH 7.4): 151666.31; (7)ACD/KOC (pH 5.5): 177851.38; (8)ACD/KOC (pH 7.4): 177851.38; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.632; (11)Molar Refractivity: 85.11 cm3; (12)Molar Volume: 238.3 cm3; (13)Polarizability: 33.74x10-24cm3; (14)Surface Tension: 49.3 dyne/cm; (15)Density: 1.658 g/cm3; (16)Flash Point: 189.2 °C; (17)Enthalpy of Vaporization: 62 kJ/mol; (18)Boiling Point: 395.1 °C at 760 mmHg; (19)Vapour Pressure: 4.3E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(c(Cl)c(Cl)c(Cl)c1)c2c(Cl)ccc(Cl)c2Cl
(2)Std. InChI: InChI=1S/C12H3Cl7/c13-4-1-2-5(14)10(17)8(4)9-6(15)3-7(16)11(18)12(9)19/h1-3H
(3)Std. InChIKey: HGMYRFJAJNYBRX-UHFFFAOYSA-N

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