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189084-64-8

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Basic Information
CAS No.: 189084-64-8
Name: 2,2',4,4',6-PENTABROMODIPHENYL ETHER
Article Data: 3
Molecular Structure:
Molecular Structure of 189084-64-8 (2,2',4,4',6-PENTABROMODIPHENYL ETHER)
Formula: C12H5Br5O
Molecular Weight: 564.691
Synonyms: 2,2',4,4',6-Pentabromodiphenylether;BDE 100;PBDE 100;
EINECS: 208-759-1
Density: 2.343 g/cm3
Melting Point: 97-98 °C(Solv: tetrahydrofuran (109-99-9); acetonitrile (75-05-8))
Boiling Point: 415.9 °C at 760 mmHg
Flash Point: 171.9 °C
Hazard Symbols: FlammableF,HarmfulXn,DangerousN
Risk Codes: 11-38-50/53-65-67
Safety: 60-61-62
PSA: 9.23000
LogP: 7.29140
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Specification

The Benzene,1,3,5-tribromo-2-(2,4-dibromophenoxy)-, with the CAS registry number 189084-64-8, is also known as 2,2',4,4',6-Pentabromodiphenyl ether solution. This chemical's molecular formula is C12H5Br5O and molecular weight is 564.6875. Its IUPAC name is called 1,3,5-tribromo-2-(2,4-dibromophenoxy)benzene.

Physical properties of Benzene,1,3,5-tribromo-2-(2,4-dibromophenoxy)-: (1)ACD/LogP: 8.03; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 8.03; (4)ACD/LogD (pH 7.4): 8.03; (5)ACD/BCF (pH 5.5): 742965.81; (6)ACD/BCF (pH 7.4): 742965.81; (7)ACD/KOC (pH 5.5): 554637.81; (8)ACD/KOC (pH 7.4): 554637.81; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.68; (12)Molar Refractivity: 91.14 cm3; (13)Molar Volume: 240.9 cm3; (14)Surface Tension: 53.2 dyne/cm; (15)Density: 2.343 g/cm3; (16)Flash Point: 171.9 °C; (17)Enthalpy of Vaporization: 64.31 kJ/mol; (18)Boiling Point: 415.9 °C at 760 mmHg; (19)Vapour Pressure: 9.57E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may catch fire in contact with air and only need brief contact with an ignition source which has a very low flash point or evolve highly flammable gases in contact with water. Besides, it may cause damage to health. This chemical is highly flammable. In addition, it is irritating to skin which is very toxic to aquatic organisms. What's more, it may cause long-term adverse effects in the aquatic environment. This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2Br)Br)Br
(2)InChI: InChI=1S/C12H5Br5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5H
(3)InChIKey: NSKIRYMHNFTRLR-UHFFFAOYSA-N