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| CAS No.: | 5525-95-1 |
|---|---|
| Name: | Diphenyl(pentafluorophenyl)phosphine |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C18H10F5P |
| Molecular Weight: | 352.243 |
| Synonyms: | (Pentafluorophenyl)diphenylphosphine;(2,3,4,5,6-pentafluorophenyl)-diphenyl-phosphane;Phosphine, (pentafluorophenyl)diphenyl-; |
| Melting Point: | 71-72 °C(lit.) |
| Boiling Point: | 353.7 °C at 760 mmHg |
| Flash Point: | 167.7 °C |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 13.59000 |
| LogP: | 4.14030 |
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Specification
The Diphenyl(pentafluorophenyl)phosphine, with CAS registry number 5525-95-1, belongs to the following product categories: (1)Ligand; (2)Phosphine Ligands; (3)Synthetic Organic Chemistry. It has the systematic name of (pentafluorophenyl)(diphenyl)phosphane. This chemical is a kind of white to light yellow crystal powder. And the chemical formula of this chemical is C18H10F5P.
Physical properties of Diphenyl(pentafluorophenyl)phosphine: (1)ACD/LogP: 5.87; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 13.59 Å2; (7)Flash Point: 167.7 °C; (8)Enthalpy of Vaporization: 57.5 kJ/mol; (9)Boiling Point: 353.7 °C at 760 mmHg; (10)Vapour Pressure: 7.18E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by Diphenyl-cyan-phosphin and pentafluorophenyltrimethylsilane. This reaction will need reagent [18-crown-6-K]CN and solvent acetonitrile. The reaction time is 3 hour(s) with reaction temperature of -45 - 20 ℃. The yield is about 56%.
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When you are using this chemical, please be cautious about it as the following:
The Diphenyl(pentafluorophenyl)phosphine irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc3c(F)c(F)c(F)c(F)c3P(c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C18H10F5P/c19-13-14(20)16(22)18(17(23)15(13)21)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
(3)InChIKey: KUTXTUCJQJPJBH-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C18H10F5P/c19-13-14(20)16(22)18(17(23)15(13)21)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
(5)Std. InChIKey: KUTXTUCJQJPJBH-UHFFFAOYSA-N