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Phosphine oxide,diphenyl-2-propen-1-yl-

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Name

Phosphine oxide,diphenyl-2-propen-1-yl-

EINECS N/A
CAS No. 4141-48-4 Density 1.09 g/cm3
PSA 26.88000 LogP 3.18650
Solubility Soluble in most organic solvents Melting Point 110-114 °C(lit.)
Formula C15H15OP Boiling Point 337 °C at 760 mmHg
Molecular Weight 242.257 Flash Point 157.6 °C
Transport Information N/A Appearance White solid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 4141-48-4 (ALLYLDIPHENYLPHOSPHINE OXIDE) Hazard Symbols IrritantXi
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;

Article Data 18

Phosphine oxide,diphenyl-2-propen-1-yl- 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%.

Phosphine oxide,diphenyl-2-propen-1-yl- can be prepared by diphenylphosphinous acid chloride and prop-2-en-1-ol at the temperature of 0 °C

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%.

Phosphine oxide,diphenyl-2-propen-1-yl- can be used to produce 5-diphenylphosphinoylmethyl-3-propyl-4,5-dihydroisoxazole at the ambient temperature

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

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