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| CAS No.: | 676-96-0 |
|---|---|
| Name: | TRIMETHYLPHOSPHINE OXIDE |
| Article Data: | 71 |
| Molecular Structure: | |
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| Formula: | C3H9OP |
| Molecular Weight: | 92.0776 |
| Synonyms: | Trimethylphosphine oxide; |
| EINECS: | 211-633-9 |
| Density: | 0.9 g/cm3 |
| Melting Point: | 140-141°C |
| Boiling Point: | 193.7 °C at 760 mmHg |
| Flash Point: | 71 °C |
| Appearance: | colorless crystals |
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 26.88000 |
| LogP: | 1.23890 |
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Specification
The IUPAC name of Trimethylphosphine oxide is dimethylphosphorylmethane. With the CAS registry number 676-96-0 and EINECS 211-633-9, it is also named as phosphorane, trimethyl-, oxide. It is colorless crystals which should be kept away from oxide. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.76; (4)ACD/LogD (pH 7.4): -1.76; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.63; (8)ACD/KOC (pH 7.4): 2.63; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.364; (13)Molar Refractivity: 22.82 cm3; (14)Molar Volume: 102.2 cm3; (15)Polarizability: 9.04×10-24 cm3; (16)Surface Tension: 22.9 dyne/cm; (17)Enthalpy of Vaporization: 41.23 kJ/mol; (18)Vapour Pressure: 0.64 mmHg at 25°C; (19)Exact Mass: 92.039101; (20)MonoIsotopic Mass: 92.039101; (21)Topological Polar Surface Area: 17.1; (22)Heavy Atom Count: 5; (23)Complexity: 53.
Uses of Trimethylphosphine oxide: It can react with 9-methyl-9-azonianthracene methyl sulfate to get (10-methyl-9,10-dihydro-acridin-9-yl)-phosphonic acid dimethyl ester. This reaction needs reagent NaI and solvent acetonitrile. The reaction time is 2 hours. The yield is 70%.
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People can use the following data to convert to the molecule structure.
1. SMILES:O=P(C)(C)C
2. InChI:InChI=1/C3H9OP/c1-5(2,3)4/h1-3H3
3. InChIKey:LRMLWYXJORUTBG-UHFFFAOYAV
4. Std. InChI:InChI=1S/C3H9OP/c1-5(2,3)4/h1-3H3
5. Std. InChIKey:LRMLWYXJORUTBG-UHFFFAOYSA-N