CAS No.1733-57-9,DIPHENYLETHYLPHOSPHINE OXIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1733-57-9
Name:	DIPHENYLETHYLPHOSPHINE OXIDE
Article Data:	67

Formula:	C₁₄H₁₅OP
Molecular Weight:	230.246
Synonyms:	Diphenyl(ethyl)phosphineoxide;Diphenylphosphinoethane monoxide;Ethyldiphenylphosphine oxide;
EINECS:	217-068-4
Density:	1.1 g/cm³
Melting Point:	120-125 °C(lit.)
Boiling Point:	323.8 °C at 760 mmHg
Flash Point:	149.6 °C
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26
Transport Information:	3278
PSA:	26.88000
LogP:	3.02040

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Specification

The Diphenyl(ethyl)phosphine oxide, with the CAS registry number 1733-57-9, is also known as Diphenyl(ethyl)phosphineoxide. This chemical's molecular formula is C₁₄H₁₅OP and molecular weight is 230.24. What's more, its systematic name is Ethyl(diphenyl)phosphane oxide and it belongs to the product categories of Catalysis and Inorganic Chemistry; Phosphine Ligands; Phosphorus Compounds. In addition, its EINECS number is 217-068-4 and its classification code is Drug / Therapeutic Agent. The product is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and cool place.

Physical properties of Diphenyl(ethyl)phosphine oxide are: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 2.28; (5)ACD/BCF (pH 5.5): 31.57; (6)ACD/BCF (pH 7.4): 31.57; (7)ACD/KOC (pH 5.5): 411.86; (8)ACD/KOC (pH 7.4): 411.86; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.88 Å²; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 67.46 cm³; (15)Molar Volume: 209.2 cm³; (16)Polarizability: 26.74×10^-24cm³; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.1 g/cm³; (19)Flash Point: 149.6 °C; (20)Enthalpy of Vaporization: 54.33 kJ/mol; (21)Boiling Point: 323.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000483 mmHg at 25°C.

Preparation: this chemical can be prepared by diphenylphosphinous acid ethyl ester at the temperature of 60 °C. This reaction will need reagent TMSOTf and solvent CHCl₃ with the reaction time of 18 hours. The yield is about 85%.

Diphenyl(ethyl)phosphine oxide can be prepared by diphenylphosphinous acid ethyl ester at the temperature of 60 °C

Uses of Diphenyl(ethyl)phosphine oxide: it can be used to produce 5-diphenylphosphinoyl-4-oxohexanoic acid. It will need reagent butyl lithium and solvent tetrahydrofuran and the yield is about 36%.

Diphenyl(ethyl)phosphine oxide can be used to produce 5-diphenylphosphinoyl-4-oxohexanoic acid

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and 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.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2
(2)InChI: InChI=1S/C14H15OP/c1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
(3)InChIKey: AKTGKEBIBGSCLD-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	1640mg/kg (1640mg/kg)		Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 24(4), Pg. 22, 1990.