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| CAS No.: | 1073-47-8 |
|---|---|
| Name: | Dibromo(phenyl)phosphine |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C6H5Br2P |
| Molecular Weight: | 267.887 |
| Synonyms: | Dibromophenylphosphine; |
| Boiling Point: | 256 °C at 760 mmHg |
| Flash Point: | 108.6 °C |
| PSA: | 13.59000 |
| LogP: | 3.41360 |
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Specification
The Phenylphosphonous dibromide, with the CAS registry number 3469-20-3, is also known as Dibromophenylphosphine. This chemical's molecular formula is C6H5Br2P and molecular weight is 267.89. What's more, its systematic name is Phenylphosphonous dibromide.
Physical properties of Phenylphosphonous dibromide are: (1)ACD/LogP: 4.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.92; (4)ACD/LogD (pH 7.4): 4.92; (5)ACD/BCF (pH 5.5): 3207.45; (6)ACD/BCF (pH 7.4): 3207.45; (7)ACD/KOC (pH 5.5): 11253.93; (8)ACD/KOC (pH 7.4): 11253.93; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 13.59 Å2 ; (13)Flash Point: 108.6 °C; (14)Enthalpy of Vaporization: 47.36 kJ/mol; (15)Boiling Point: 256 °C at 760 mmHg; (16)Vapour Pressure: 0.0253 mmHg at 25°C.
Preparation: this chemical can be prepared by triphenylphosphane at the temperature of 300°C. This reaction will need reagent PBr3 with the reaction time of 5 hours. The yield is about 70%.
Uses of Phenylphosphonous dibromide: it can be used to produce 1,3,4-triphenyl-2,5-dihydro-1H-phosphole 1-oxide at the temperature of 50°C. It will need reagent copper stearate and solvent petroleum ether with the reaction time of 5 days. The yield is about 80%.
You can still convert the following datas into molecular structure:
(1)SMILES: BrP(Br)c1ccccc1
(2)Std. InChI: InChI=1S/C6H5Br2P/c7-9(8)6-4-2-1-3-5-6/h1-5H
(3)Std. InChIKey: SDJKREQSNPYHJT-UHFFFAOYSA-N