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119264-60-7

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Basic Information
CAS No.: 119264-60-7
Name: 2,23,34,5,6,6Octabromobiphenyl
Molecular Structure:
Molecular Structure of 119264-60-7 (2,23,34,5,6,6Octabromobiphenyl)
Formula: C12H2Br8
Molecular Weight: 777.36
Synonyms: 2,2',3,3',4,5',6,6'-Octabromobiphenyl;PBB 200;
Density: 2.763 g/cm3
Boiling Point: 511.4 °C at 760 mmHg
Flash Point: 253 °C
PSA: 0.00000
LogP: 9.45360
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  • 2,2',3,3',4,5',6,6'-octabromo-1,1'-biphenyl

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Specification

The CAS register number of 1,1'-Biphenyl,2,2',3,3',4,5',6,6'-octabromo- is 119264-60-7. It also can be called as 2,2',3,3',4,5',6,6'-Octabromobiphenyl and the IUPAC name about this chemical is 1,2,3,5-tetrabromo-4-(2,3,5,6-tetrabromophenyl)benzene. The molecular formula about this chemical is C12H2Br8 and the molecular weight is 777.36.

Physical properties about 1,1'-Biphenyl,2,2',3,3',4,5',6,6'-octabromo- are: (1)ACD/LogP: 8.51; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 8.51; (4)ACD/LogD (pH 7.4): 8.51; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1010674.94; (8)ACD/KOC (pH 7.4): 1010674.94; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.72  Molar ; (11)Refractivity: 112.36 cm3; (12)Molar Volume: 284.1 cm3; (13)Polarizability: 44.54x10-24cm3; (14)Surface Tension: 58 dyne/cm; (15)Density: 2.763 g/cm3; (16)Flash Point: 253 °C; (17)Enthalpy of Vaporization: 75.28 kJ/mol; (18)Boiling Point: 511.4 °C at 760 mmHg; (19)Vapour Pressure: 4.56E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(c(Br)c(Br)c(Br)c1)c2c(Br)c(Br)cc(Br)c2Br
(2)Std. InChI: InChI=1S/C12H2Br8/c13-3-1-6(16)11(19)12(20)7(3)8-9(17)4(14)2-5(15)10(8)18/h1-2H
(3)Std. InChIKey: XWEDREXJLOGPJT-UHFFFAOYSA-N