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CAS No.: | 1733-57-9 |
---|---|
Name: | DIPHENYLETHYLPHOSPHINE OXIDE |
Article Data: | 67 |
Molecular Structure: | |
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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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: 26.74×10-24 cm3; (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%.
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%.
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. |