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65510-44-3

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Basic Information
CAS No.: 65510-44-3
Name: 2',3,4,4',5-PENTACHLOROBIPHENYL
Article Data: 4
Molecular Structure:
Molecular Structure of 65510-44-3 (2',3,4,4',5-PENTACHLOROBIPHENYL)
Formula: C12H5Cl5
Molecular Weight: 326.437
Synonyms: 2,3',4,4',5'-Pentachlorobiphenyl;2',3,4,4',5-Pentachlorobiphenyl;PCB 123;
Density: 1.522 g/cm3
Boiling Point: 390.2 °C at 760 mmHg
Flash Point: 192.1 °C
Hazard Symbols: N
Risk Codes: 33-50/53
Safety: 60-61
PSA: 0.00000
LogP: 6.62060
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Specification

The 1,1'-Biphenyl,2,3',4,4',5'-pentachloro-, with the CAS registry number 65510-44-3, is also known as 2,3',4,4',5'-Pentachloro-1,1'-biphenyl. This chemical's molecular formula is C12H5Cl5 and molecular weight is 326.43. Its IUPAC name is called 1,2,3-trichloro-5-(2,4-dichlorophenyl)benzene. 

Physical properties of 1,1'-Biphenyl,2,3',4,4',5'-pentachloro-: (1)ACD/LogP: 6.50; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.5; (4)ACD/LogD (pH 7.4): 6.5; (5)ACD/BCF (pH 5.5): 51328.28; (6)ACD/BCF (pH 7.4): 51328.28; (7)ACD/KOC (pH 5.5): 81894.59; (8)ACD/KOC (pH 7.4): 81894.59; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.619; (11)Molar Refractivity: 75.31 cm3; (12)Molar Volume: 214.4 cm3; (13)Surface Tension: 46.4 dyne/cm; (14)Density: 1.522 g/cm3; (15)Flash Point: 192.1 °C; (16)Enthalpy of Vaporization: 61.46 kJ/mol; (17)Boiling Point: 390.2 °C at 760 mmHg; (18)Vapour Pressure: 6.06E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl
(2)InChI: InChI=1S/C12H5Cl5/c13-7-1-2-8(9(14)5-7)6-3-10(15)12(17)11(16)4-6/h1-5H
(3)InChIKey: YAHNWSSFXMVPOU-UHFFFAOYSA-N