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| CAS No.: | 597-50-2 |
|---|---|
| Name: | Triethylphosphine oxide |
| Article Data: | 19 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H15OP |
| Molecular Weight: | 134.158 |
| Synonyms: | NSC 41934;Triethylphosphine oxide;SKF 39804; |
| Density: | 0.884 g/cm3 |
| Melting Point: | 48-52 °C(lit.) |
| Boiling Point: | 243 °C at 760 mmHg |
| Flash Point: | 100.8 °C |
| Solubility: | Soluble in water. |
| Appearance: | White needles |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 45-36/37/39-26 |
| Transport Information: | 1759 |
| PSA: | 26.88000 |
| LogP: | 2.40920 |
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Specification
The CAS register number of Triethylphosphine oxide is 597-50-2. It also can be called as Triethylphosphine oxide and the IUPAC name about this chemical is 1-diethylphosphorylethane. The molecular formula about this chemical is C6H15OP and the molecular weight is 134.16. It belongs to the following product categories which include Phosphine Oxides and Sulfides; Catalysis and Inorganic Chemistry; Phosphine Ligands; Phosphorus Compounds and so on.
Physical properties about Triethylphosphine oxide are: (1)ACD/LogP: -0.17; (2)ACD/LogD (pH 5.5): -0.17; (3)ACD/LogD (pH 7.4): -0.17; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 19.34; (7)ACD/KOC (pH 7.4): 19.34; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.88 Å2; (11)Index of Refraction: 1.399; (12)Molar Refractivity: 36.71 cm3; (13)Molar Volume: 151.7 cm3; (14)Polarizability: 14.55x10-24cm3; (15)Surface Tension: 26.1 dyne/cm; (16)Density: 0.884 g/cm3; (17)Flash Point: 100.8 °C; (18)Enthalpy of Vaporization: 46.06 kJ/mol; (19)Boiling Point: 243 °C at 760 mmHg; (20)Vapour Pressure: 0.0512 mmHg at 25 °C.
Preparation: this chemical can be prepared by triethylaluminium. This reaction will need reagent of diphenyl phosphite and solvent of benzene. The yield is about 32%.
Uses of Triethylphosphine oxide: it can be used to produce tris(perfluoroethyl)difluorophosphane. This reaction will need reagent of HF. This reaction needs electrochemical fluorination. The yield is about 42%.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. It may destroy living tissue on contact. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(CC)(CC)CC
(2)InChI: InChI=1/C6H15OP/c1-4-8(7,5-2)6-3/h4-6H2,1-3H3(3)InChIKey: ZSSWXNPRLJLCDU-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H15OP/c1-4-8(7,5-2)6-3/h4-6H2,1-3H3
(5)Std. InChIKey: ZSSWXNPRLJLCDU-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LC | inhalation | > 1450mg/m3/10 (1450mg/m3) | National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. NDCrc-132, Pg. NOV1942, |