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74472-39-2

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Basic Information
CAS No.: 74472-39-2
Name: 2',3,4,5,6'-PENTACHLOROBIPHENYL
Molecular Structure:
Molecular Structure of 74472-39-2 (2',3,4,5,6'-PENTACHLOROBIPHENYL)
Formula: C12H5Cl5
Molecular Weight: 326.437
Synonyms: 2,3,4,5,6-PENTACHLOROBIPHENYL;PCB NO 125;PCB-125
Density: 1.522 g/cm3
Melting Point: 95.86°C (estimate)
Boiling Point: 376.8 °Cat760mmHg
Flash Point: 182.1 °C
PSA: 0.00000
LogP: 6.62060
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Specification

This chemical is called 1,2,3-Trichloro-5-(2,6-dichlorophenyl)benzene, and its systematic name is 1,1'-Biphenyl, 2,3',4',5',6-pentachloro-. With the molecular formula of C12H5Cl5, its molecular weight is 326.4331. The CAS registry number of this chemical is 74472-39-2.

Other characteristics of the 1,2,3-Trichloro-5-(2,6-dichlorophenyl)benzene can be summarised as followings: (1)ACD/LogP: 6.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.41; (4)ACD/LogD (pH 7.4): 6.41; (5)ACD/BCF (pH 5.5): 43698.61; (6)ACD/BCF (pH 7.4): 43698.61; (7)ACD/KOC (pH 5.5): 72984.35; (8)ACD/KOC (pH 7.4): 72984.35; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.619; (13)Molar Refractivity: 75.31 cm3; (14)Molar Volume: 214.4 cm3; (15)Polarizability: 29.85×10-24cm3; (16)Surface Tension: 46.4 dyne/cm; (17)Density: 1.522 g/cm3; (18)Flash Point: 182.1 °C; (19)Enthalpy of Vaporization: 60 kJ/mol; (20)Boiling Point: 376.8 °C at 760 mmHg; (21)Vapour Pressure: 1.53E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc2cc(c1c(Cl)cccc1Cl)cc(Cl)c2Cl
2.InChI: InChI=1/C12H5Cl5/c13-7-2-1-3-8(14)11(7)6-4-9(15)12(17)10(16)5-6/h1-5H
3.InChIKey: WAZUWHGJMMZVHH-UHFFFAOYAK