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Dibenzofuran, 1,2,3,4,7,8,9-heptabromo-

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Name

Dibenzofuran, 1,2,3,4,7,8,9-heptabromo-

EINECS
CAS No. 161880-51-9 Density 2.839 g/cm3
Solubility Melting Point
Formula C12HBr7O Boiling Point 600.6 °C at 760 mmHg
Molecular Weight 720.46 Flash Point 317 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 161880-51-9 (Dibenzofuran, 1,2,3,4,7,8,9-heptabromo-) Hazard Symbols
Synonyms

1,2,3,4,7,8,9-Heptabromodibenzofuran;

 

Dibenzofuran, 1,2,3,4,7,8,9-heptabromo- Specification

The CAS registry number of Dibenzofuran, 1,2,3,4,7,8,9-heptabromo- is 161880-51-9. This chemical's molecular formula is C12HBr7O and molecular weight is 720.46. What's more, both its IUPAC name and systematic name are the same which is called 1,2,3,4,7,8,9-Heptabromodibenzofuran.

Physical properties about Dibenzofuran, 1,2,3,4,7,8,9-heptabromo- are: (1)ACD/LogP: 8.81; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 8.81; (4)ACD/LogD (pH 7.4): 8.81; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1477719.13; (8)ACD/KOC (pH 7.4): 1477719.13; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 13.14 Å2; (13)Index of Refraction: 1.795; (14)Molar Refractivity: 108.06 cm3; (15)Molar Volume: 253.7 cm3; (16)Polarizability: 42.84×10-24 cm3; (17)Surface Tension: 65.6 dyne/cm; (18)Density: 2.839 g/cm3; (19)Flash Point: 317 °C; (20)Enthalpy of Vaporization: 86.1 kJ/mol; (21)Boiling Point: 600.6 °C at 760 mmHg; (22)Vapour Pressure: 9.58E-14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c2c(c3c(o2)c(c(c(c3Br)Br)Br)Br)c(c(c1Br)Br)Br
(2) InChI: InChI=1/C12HBr7O/c13-2-1-3-4(7(15)6(2)14)5-8(16)9(17)10(18)11(19)12(5)20-3/h1H
(3) InChIKey: RFUPGXOBNPMYIM-UHFFFAOYAG

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