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| CAS No.: | 6876-00-2 |
|---|---|
| Name: | 3-PHENOXYBROMOBENZENE |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C12H9BrO |
| Molecular Weight: | 249.107 |
| Synonyms: | Ether,m-bromophenyl phenyl (6CI,7CI,8CI);1-Bromo-3-phenoxybenzene;3-Bromodiphenylether;3-Bromophenyl phenyl ether;3-Phenoxy-1-bromobenzene;3-Phenoxybromobenzene;3-Phenoxyphenyl bromide;BDE 2;NSC 57095;PBDE 2;m-Bromodiphenyl ether;m-Bromophenoxybenzene;m-Bromophenyl phenyl ether;m-Phenoxybromobenzene;m-Phenoxyphenyl bromide; |
| Density: | 1.413 g/cm3 |
| Boiling Point: | 301.3 °C at 760 mmHg |
| Flash Point: | 119 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 37/38-41-43-51/53 |
| Safety: | 26-36/37/39-61 |
| PSA: | 9.23000 |
| LogP: | 4.24140 |
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Specification
The Benzene,1-bromo-3-phenoxy-, with the CAS registry number 6876-00-2, is also known as 3-Bromodiphenylether. This chemical's molecular formula is C12H9BrO and formula weight is 249.1. What's more, its IUPAC name is 1-bromo-3-phenoxybenzene.
Physical properties of Benzene,1-bromo-3-phenoxy- are: (1)ACD/LogP: 5.12; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.11; (4)ACD/BCF (pH 5.5): 4541.32; (5)ACD/KOC (pH 5.5): 14434.57; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 9.23 Å2; (10)Index of Refraction: 1.601; (11)Molar Refractivity: 60.38 cm3; (12)Molar Volume: 176.2 cm3; (13)Surface Tension: 42.1 dyne/cm; (14)Density: 1.413 g/cm3; (15)Flash Point: 119 °C; (16)Enthalpy of Vaporization: 51.97 kJ/mol; (17)Boiling Point: 301.3 °C at 760 mmHg; (18)Vapour Pressure: 0.0019 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)OC2=CC(=CC=C2)Br
(2)InChI: InChI=1S/C12H9BrO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H
(3)InChIKey: AHDAKFFMKLQPTD-UHFFFAOYSA-N