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74472-33-6

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Basic Information
CAS No.: 74472-33-6
Name: 2,3,3',6-TETRACHLOROBIPHENYL
Molecular Structure:
Molecular Structure of 74472-33-6 (2,3,3',6-TETRACHLOROBIPHENYL)
Formula: C12H6Cl4
Molecular Weight: 291.992
Synonyms: 1,1-Biphenyl, 2,3,3,6-tetrachloro-;
Density: 1.441 g/cm3
Melting Point: 106.53°C (estimate)
Boiling Point: 347.9 °C at 760mmHg
Flash Point: 164.1 °C
PSA: 0.00000
LogP: 5.96720
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Specification

This chemical is called 1,1'-Biphenyl, 2,3,3',6-tetrachloro-, and its IUPAC name is 1,2,4-trichloro-3-(3-chlorophenyl)benzene. With the molecular formula of C12H6Cl4, its molecular weight is 291.988. The CAS registry number of this chemical is 74472-33-6.

Other characteristics of the 1,1'-Biphenyl, 2,3,3',6-tetrachloro- can be summarised as followings: (1)ACD/LogP: 5.88; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.88; (4)ACD/LogD (pH 7.4): 5.88; (5)ACD/BCF (pH 5.5): 17287.79; (6)ACD/BCF (pH 7.4): 17287.79; (7)ACD/KOC (pH 5.5): 37580.38; (8)ACD/KOC (pH 7.4): 37580.38; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 70.42 cm3; (14)Molar Volume: 202.5 cm3; (15)Polarizability: 27.91×10-24cm3; (16)Surface Tension: 44.8 dyne/cm; (17)Density: 1.441 g/cm3; (18)Flash Point: 164.1 °C; (19)Enthalpy of Vaporization: 56.88 kJ/mol; (20)Boiling Point: 347.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000105 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc2c(c1cccc(Cl)c1)c(Cl)ccc2Cl
2.InChI: InChI=1/C12H6Cl4/c13-8-3-1-2-7(6-8)11-9(14)4-5-10(15)12(11)16/h1-6H
3.InChIKey: WZNAMGYIQPAXDH-UHFFFAOYAL