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| CAS No.: | 4141-48-4 |
|---|---|
| Name: | ALLYLDIPHENYLPHOSPHINE OXIDE |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C15H15OP |
| Molecular Weight: | 242.257 |
| Synonyms: | NSC 616249;NSC 98715;Allyldiphenylphosphine oxide;Diphenyl-2-propenylphosphine oxide;Phosphine oxide, diphenyl-2-propenyl- (9CI);Phosphineoxide, allyldiphenyl- (7CI,8CI);Diphenyl(prop-2-en-1-yl)phosphane oxide;[Phenyl(prop-2-enyl)phosphoryl]benzene; |
| Density: | 1.09 g/cm3 |
| Melting Point: | 110-114 °C(lit.) |
| Boiling Point: | 337 °C at 760 mmHg |
| Flash Point: | 157.6 °C |
| Solubility: | Soluble in most organic solvents |
| Appearance: | White solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 26.88000 |
| LogP: | 3.18650 |
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- Total:15 Page 1 of 1 1
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Specification
The Phosphine oxide,diphenyl-2-propen-1-yl-, with the CAS registry number 4141-48-4, is also known as Allyldiphenylphosphine oxide. This chemical's molecular formula is C15H15OP and molecular weight is 242.25. What's more, its systematic name is Diphenyl(prop-2-en-1-yl)phosphane oxide and it belongs to the product categories of Catalysis and Inorganic Chemistry; Phosphine Ligands; Phosphorus Compounds. The product is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. Besides, it should be protected from light.
Physical properties of Phosphine oxide,diphenyl-2-propen-1-yl- are: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.57; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 53.02; (6)ACD/BCF (pH 7.4): 53.02; (7)ACD/KOC (pH 5.5): 596.98; (8)ACD/KOC (pH 7.4): 596.98; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.88 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 71.86 cm3; (15)Molar Volume: 220.8 cm3; (16)Polarizability: 28.48×10-24 cm3; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.09 g/cm3; (19)Flash Point: 157.6 °C; (20)Enthalpy of Vaporization: 55.72 kJ/mol; (21)Boiling Point: 337 °C at 760 mmHg; (22)Vapour Pressure: 0.000211 mmHg at 25°C.
Preparation: this chemical can be prepared by diphenylphosphinous acid chloride and prop-2-en-1-ol at the temperature of 0 °C. This reaction will need reagent pyridine and solvent diethyl ether with the reaction time of 1 hour. The yield is about 73%.
Uses of Phosphine oxide,diphenyl-2-propen-1-yl-: it can be used to produce 5-diphenylphosphinoylmethyl-3-propyl-4,5-dihydroisoxazole at the ambient temperature. It will need reagent aq. NaOCl and solvent CH2Cl2 with the reaction time of 10 days. The yield is about 96%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=CCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2
(2)InChI: InChI=1S/C15H15OP/c1-2-13-17(16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2-12H,1,13H2
(3)InChIKey: PGPAPANRSWMTQO-UHFFFAOYSA-N