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95385-87-8

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Basic Information
CAS No.: 95385-87-8
Name: 1,2,3,4-Tetrachloro-5-(2,3-dichlorophenyl)-6-phenylbenzene
Molecular Structure:
Molecular Structure of 95385-87-8 (1,2,3,4-Tetrachloro-5-(2,3-dichlorophenyl)-6-phenylbenzene)
Formula: C18H8Cl6
Molecular Weight: 436.9741
Synonyms: 2, 3, 3', 4', 5', 6'-Hexachloro-1, 1':2', 1''-terphenyl;
Density: 1.497 g/cm3
Boiling Point: 448.4 °C at 760 mmHg
Flash Point: 216.9 °C
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  • 1,2,3,4-Tetrachloro-5-(2,3-dichlorophenyl)-6-phenylbenzene

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Specification

The 1, 2, 3, 4-Tetrachloro-5-(2, 3-dichlorophenyl)-6-phenylbenzene, with the CAS registry number of 95385-87-8, is also known as 2, 3, 3', 4', 5', 6'-Hexachloro-1, 1':2', 1''-terphenyl. This chemical's molecular formula is C18H8Cl6 and molecular weight is 436.9741. What's more, its IUPAC name is 1, 2, 3, 4-Tetrachloro-5-(2, 3-dichlorophenyl)-6-phenylbenzene.

Physical properties about 1, 2, 3, 4-Tetrachloro-5-(2, 3-dichlorophenyl)-6-phenylbenzene are: (1)ACD/LogP: 7.75; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.75; (4)ACD/LogD (pH 7.4): 7.75; (5)ACD/BCF (pH 5.5): 457115.13; (6)ACD/BCF (pH 7.4): 457115.13; (7)ACD/KOC (pH 5.5): 391758.16; (8)ACD/KOC (pH 7.4): 391758.16; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 104.8 cm3; (15)Molar Volume: 291.7 cm3; (16)Surface Tension: 48.3 dyne/cm; (17)Density: 1.497 g/cm3; (18)Flash Point: 216.9 °C; (19)Enthalpy of Vaporization: 67.97 kJ/mol; (20)Boiling Point: 448.4 °C at 760 mmHg; (21)Vapour Pressure: 8.25E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(c(c(Cl)c(Cl)c1Cl)c2cccc(Cl)c2Cl)c3ccccc3
(2) InChI: InChI=1/C18H8Cl6/c19-11-8-4-7-10(14(11)20)13-12(9-5-2-1-3-6-9)15(21)17(23)18(24)16(13)22/h1-8H
(3) InChIKey: MEKUYAYRRBEQOH-UHFFFAOYAP