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52663-71-5

Basic Information
CAS No.: 52663-71-5
Name: 2,2',3,3',4,4',6-HEPTACHLOROBIPHENYL
Molecular Structure:
Molecular Structure of 52663-71-5 (2,2',3,3',4,4',6-HEPTACHLOROBIPHENYL)
Formula: C12H3Cl7
Molecular Weight: 395.327
Synonyms: Biphenyl,2,2',3,3',4,4',6-heptachloro-;2,3,4,6,2',3',4'-Heptachloro-biphenyl;
Density: 1.658 g/cm3
Melting Point: 117.5°C
Boiling Point: 410.8 °C at 760 mmHg
Flash Point: 200.9 °C
Solubility: 2.17ug/L(25 oC)
PSA: 0.00000
LogP: 7.92740
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Specification

The 1,1'-Biphenyl,2,2',3,3',4,4',6-heptachloro-, with the CAS registry number 52663-71-5, is also known as Biphenyl,2,2',3,3',4,4',6-heptachloro- and 2,3,4,6,2',3',4'-Heptachloro-biphenyl. This chemical's molecular formula is C12H3Cl7 and molecular weight is 395.3232. What's more, its IUPAC name is called 1,2,3,5-Tetrachloro-4-(2,3,4-trichlorophenyl)benzene.

Physical properties about 1,1'-Biphenyl,2,2',3,3',4,4',6-heptachloro- are: (1)ACD/LogP: 7.16; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.16; (4)ACD/LogD (pH 7.4): 7.16; (5)ACD/BCF (pH 5.5): 162461.55; (6)ACD/BCF (pH 7.4): 162461.55; (7)ACD/KOC (pH 5.5): 186823.69; (8)ACD/KOC (pH 7.4): 186823.69; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 85.11 cm3; (15)Molar Volume: 238.3 cm3; (16)Surface Tension: 49.3 dyne/cm; (17)Density: 1.658 g/cm3; (18)Flash Point: 200.9 °C; (19)Enthalpy of Vaporization: 63.75 kJ/mol; (20)Boiling Point: 410.8 °C at 760 mmHg; (21)Vapour Pressure: 1.39E-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)c2ccc(Cl)c(Cl)c2Cl
(2) InChI: InChI=1/C12H3Cl7/c13-5-2-1-4(9(16)10(5)17)8-6(14)3-7(15)11(18)12(8)19/h1-3H
(3) InChIKey: TZMHVHLTPWKZCI-UHFFFAOYAA