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| CAS No.: | 189084-62-6 |
|---|---|
| Name: | 2,3',4',6-TETRABROMODIPHENYL ETHER |
| Article Data: | 2 |
| Molecular Structure: | |
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|
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| Formula: | C12H6Br4O |
| Molecular Weight: | 485.795 |
| Synonyms: | 2,3',4',6-Tetrabromodiphenyl ether; |
| EINECS: | 208-759-1 |
| Density: | 2.161 g/cm3 |
| Boiling Point: | 402.223 °C at 760 mmHg |
| Flash Point: | 165.851 °C |
| Hazard Symbols: |
 F, Xn, N
|
| Risk Codes: | 11-38-50/53-65-67 |
| Safety: | 60-61-62 |
| PSA: | 9.23000 |
| LogP: | 6.52890 |
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Specification
The Benzene,1,3-dibromo-2-(3,4-dibromophenoxy)-, with the CAS registry number 189084-62-6, is also known as 2,3',4',6-Tetrabromodiphenyl ether. This chemical's molecular formula is C12H6Br4O and molecular weight is 485.79. What's more, its systematic name is 1,3-dibromo-2-(3,4-dibromophenoxy)benzene.
Physical properties of Benzene,1,3-dibromo-2-(3,4-dibromophenoxy)- are: (1)ACD/LogP: 6.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 209513; (6)ACD/BCF (pH 7.4): 209513; (7)ACD/KOC (pH 5.5): 224129; (8)ACD/KOC (pH 7.4): 224129; (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: 1.665; (14)Molar Refractivity: 83.457 cm3; (15)Molar Volume: 224.759 cm3; (16)Polarizability: 33.085×10-24cm3; (17)Surface Tension: 50.913 dyne/cm; (18)Density: 2.161 g/cm3; (19)Flash Point: 165.851 °C; (20)Enthalpy of Vaporization: 62.79 kJ/mol; (21)Boiling Point: 402.223 °C at 760 mmHg; (22)Vapour Pressure: 0 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, only need brief contact with an ignition source. It has a very low flash point or evolve highly flammable gases in contact with water. This product may cause damage to health. What's more, it may present an immediate or delayed danger to one or more components of the environment.
It is highly flammable. Moreover, it is irritating to skin. This product is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. It may cause lung damage if swallowed and vapours may cause drowsiness and dizziness. This material and its container must be disposed of as hazardous waste. When useing it, you should avoid release to the environment. You'd better refer to special instructions/safety data sheet. In case of swallow, do not induce vomiting: seek medical advice immediately and show this container or label.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc(Oc1c(Br)cccc1Br)cc2Br
(2)Std. InChI: InChI=1S/C12H6Br4O/c13-8-5-4-7(6-11(8)16)17-12-9(14)2-1-3-10(12)15/h1-6H
(3)Std. InChIKey: COPAGYRSCJVION-UHFFFAOYSA-N