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40186-70-7

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Basic Information
CAS No.: 40186-70-7
Name: 2,2',3,3',4,5',6-heptachlorobiphenyl
Molecular Structure:
Molecular Structure of 40186-70-7 (2,2',3,3',4,5',6-heptachlorobiphenyl)
Formula: C12H3Cl7
Molecular Weight: 395.327
Synonyms: 2,2',3,3',4,5',6-Heptachlorobiphenyl;PCB 175;
Density: 1.658 g/cm3
Melting Point: 131.31°C (estimate)
Boiling Point: 410 °C at 760 mmHg
Flash Point: 200.2 °C
Solubility: 8.94ug/L(20 oC)
PSA: 0.00000
LogP: 7.92740
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Specification

The CAS register number of 1,1'-Biphenyl,2,2',3,3',4,5',6-heptachloro- is 40186-70-7. The systematic name about this chemical is 2,2',3,3',4,5',6-heptachlorobiphenyl. 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',4,5',6-heptachloro- are: (1)ACD/LogP: 7.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.21; (4)ACD/LogD (pH 7.4): 7.21; (5)ACD/BCF (pH 5.5): 176812.25; (6)ACD/BCF (pH 7.4): 176812.25; (7)ACD/KOC (pH 5.5): 198493.23; (8)ACD/KOC (pH 7.4): 198493.23; (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: 200.2 °C; (17)Enthalpy of Vaporization: 63.65 kJ/mol; (18)Boiling Point: 410 °C at 760 mmHg; (19)Vapour Pressure: 1.48E-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)c2cc(Cl)cc(Cl)c2Cl
(2)Std. InChI:InChI=1S/C12H3Cl7/c13-4-1-5(10(17)7(15)2-4)9-6(14)3-8(16)11(18)12(9)19/h1-3H
(3)Std. InChIKey:KJBDZJFSYQUNJT-UHFFFAOYSA-N