1,2,3,4,5-Pentabromo-6-(2,3-dibromophenoxy)benzene supplier

Name
diphenyl ether, heptabromo derivative
EINECS 273-031-2
CAS No. 68928-80-3
Density 2.643 g/cm³
Solubility
Melting Point
Formula C₁₂H₃Br₇O
Boiling Point 495.3 °C at 760 mmHg
Molecular Weight 722.4796
Flash Point 207.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Heptabromodiphenyl oxide;139598-16-6;Diphenyl ether, heptabromo derivative;113172-79-5;1,2,3,4,5-pentabromo-6-(2,3-dibromophenoxy)benzene;Heptabromodiphenyl ether;Heptabromodiphenyl oxide;
PSA
LogP

1,2,3,4,5-Pentabromo-6-(2,3-dibromophenoxy)benzene Specification

The IUPAC name of this chemical is 1,2,3,4,5-Pentabromo-6-(2,3-dibromophenoxy)benzene. With the CAS registry number 68928-80-3 and EINECS 273-031-2, it is also named as Diphenyl ether,heptabromo derivative. In addition, the formula is C₁₂H₃Br₇O and the molecular weight is 722.47962.

Physical properties about 1,2,3,4,5-Pentabromo-6-(2,3-dibromophenoxy)benzene are: (1)ACD/LogP: 9.23; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.23; (4)ACD/LogD (pH 7.4): 9.23; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2501014; (8)ACD/KOC (pH 7.4): 2501014; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.707; (14)Molar Refractivity: 106.52 cm³; (15)Molar Volume: 273.3 cm³; (16)Polarizability: 42.23 ×10^-24cm³; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 2.643 g/cm³; (19)Flash Point: 207.2 °C; (20)Enthalpy of Vaporization: 73.39 kJ/mol; (21)Boiling Point: 495.3 °C at 760 mmHg; (22)Vapour Pressure: 1.82E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2c(Oc1cccc(Br)c1Br)c(Br)c(Br)c(Br)c2Br
(2)InChI: InChI=1/C12H3Br7O/c13-4-2-1-3-5(6(4)14)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H
(3)InChIKey: NLBLNZDNOSSGPW-UHFFFAOYAK

Product Name

diphenyl ether, heptabromo derivative

1,2,3,4,5-Pentabromo-6-(2,3-dibromophenoxy)benzene Specification

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