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| CAS No.: | 1849-29-2 |
|---|---|
| Name: | METHANOL-D3 |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | CHD3O |
| Molecular Weight: | 35.0183 |
| Synonyms: | Methanol(CD3OH);Methanol-1,1,1-d3;Methanol-d3;Methyl-d3 alcohol;Trideuteriomethanol; |
| EINECS: | 217-435-9 |
| Density: | 0.824 g/cm3 |
| Melting Point: | 174-177 °C |
| Boiling Point: | 48.1 °C at 760 mmHg |
| Flash Point: | 11.1 °C |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 F, T
|
| Risk Codes: | 11-23/25 |
| Safety: | 7-16-24-45 |
| PSA: | 20.23000 |
| LogP: | -0.39150 |
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Specification
The Methan-d3-ol(6CI,7CI,8CI,9CI) is an organic compound with the formula CHD3O. The IUPAC name of this chemical is trideuteriomethanol. With the CAS registry number 1849-29-2, it is also named as 1,1,1-Trideuteromethanol. Besides, it is clear colorless liquid, which should be stored in a closed cool and dry place.
Physical properties about Methan-d3-ol(6CI,7CI,8CI,9CI) are: (1)ACD/LogP: -0.72; (2)ACD/LogD (pH 5.5): -0.72; (3)ACD/LogD (pH 7.4): -0.72; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9.68; (7)ACD/KOC (pH 7.4): 9.68; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)Polar Surface Area: 9.23 Å2; (11)Index of Refraction: 1.31; (12)Molar Refractivity: 8.21 cm3; (13)Molar Volume: 42.5 cm3; (14)Polarizability: 3.25×10-24cm3; (15)Surface Tension: 18.8 dyne/cm; (16)Density: 0.824 g/cm3; (17)Flash Point: 11.1 °C; (18)Enthalpy of Vaporization: 35.21 kJ/mol; (19)Boiling Point: 48.1 °C at 760 mmHg; (20)Vapour Pressure: 265 mmHg at 25°C.
Uses of Methan-d3-ol(6CI,7CI,8CI,9CI): it can be used to produce deuterated dimethyl methylphosphonate. It will need reagent Et3N and solvent diethyl ether with reaction time of 14 hours. The yield is about 46%.
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When you are using this chemical, please be cautious about it as the following:
It is highly flammable. Please keep away from sources of ignition - No smoking. Besides, this chemical is toxic by inhalation and if swallowed. When you are using it, avoid contact with skin. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])([2H])O
(2)InChI: InChI=1/CH4O/c1-2/h2H,1H3/i1D3
(3)InChIKey: OKKJLVBELUTLKV-FIBGUPNXEU
(4)Std. InChI: InChI=1S/CH4O/c1-2/h2H,1H3/i1D3
(5)Std. InChIKey: OKKJLVBELUTLKV-FIBGUPNXSA-N