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Cas Database |
| Name |
Methane-d3, iodo-(6CI,8CI,9CI) |
EINECS | 212-744-5 |
| CAS No. | 865-50-9 | Density | 2.269 g/cm3 |
| PSA | 0.00000 | LogP | 1.05120 |
| Solubility | N/A | Melting Point |
-66.5 °C(lit.) |
| Formula | CD3I | Boiling Point | 40.3 °C at 760 mmHg |
| Molecular Weight | 144.916 | Flash Point | 7.8 °C |
| Transport Information | UN 2644 6.1/PG 1 | Appearance | colourless liquid |
| Safety | 26-36/37/39-38-45 | Risk Codes | 21-23/25-34-40-42/43 |
| Molecular Structure |
|
Hazard Symbols |
 T
|
| Synonyms |
Iodomethane-d3;Iodotrideuteriomethane;Methyl-d3 iodide;Perdeuteriomethyl iodide;Perdeuteroiodomethane;Trideuterioiodomethane;Trideuteriomethyl iodide;Trideutero(iodo)methane; |
Article Data | 26 |
Methane-d3, iodo-(6CI,8CI,9CI) Synthetic route
| Conditions | Yield |
|---|---|
| With phosphorus; iodine In water Heating; | 85% |
| With hydrogen iodide In water at 40 - 50℃; for 4h; | 83.8% |
| With phosphorus; iodine Heating; | 69.8% |
| Conditions | Yield |
|---|---|
| With hydrogen iodide In water at 20 - 55℃; | 83.8% |
| With phosphorus; iodine |
| Conditions | Yield |
|---|---|
| With calcium iodide |
A
- 865-50-9
iodomethane-d3
- 129356-74-7, 129356-75-8
Nefopam trideuteriomethioiodide
| Conditions | Yield |
|---|---|
| Title compound not separated from byproducts; |
| Conditions | Yield |
|---|---|
| With I at 550 - 700℃; Equilibrium constant; |
- 865-50-9
iodomethane-d3
| Conditions | Yield |
|---|---|
| With hydrogen iodide |
- 865-50-9
iodomethane-d3
| Conditions | Yield |
|---|---|
| at 200℃; under 20 Torr; |
| Conditions | Yield |
|---|---|
| With potassium iodide In N,N-dimethyl-formamide for 5h; Reagent/catalyst; |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran for 1h; Reflux; | 100% |
| In tetrahydrofuran for 1h; Schlenk technique; Reflux; | 99% |
| In tetrahydrofuran for 1h; Schlenk technique; Inert atmosphere; Reflux; | 99% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 2h; | 100% |
| With caesium carbonate In N,N-dimethyl-formamide for 2h; Ambient temperature; | 94% |
Methane-d3, iodo-(6CI,8CI,9CI) Specification
The CAS registry number of Methane-d3, iodo-(6Cl,8Cl,9Cl) is 865-50-9. Its EINECS registry number is 212-744-5. The IUPAC name is trideuterio(iodo)methane. In addition, the molecular formula is CD3I and the molecular weight is 144.96. It is also called perdeuteriomethyl iodide. What's more, it is a kind of colourless liquid and incompatible with strong bases and strong oxidizing agents. It should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 1.50; (2)ACD/LogD (pH 5.5): 1.5; (3)ACD/LogD (pH 7.4): 1.5; (4)ACD/BCF (pH 5.5): 8.08; (5)ACD/BCF (pH 7.4): 8.08; (6)ACD/KOC (pH 5.5): 155.34; (7)ACD/KOC (pH 7.4): 155.34; (8)Index of Refraction: 1.527; (9)Molar Refractivity: 19.65 cm3; (10)Molar Volume: 63.8 cm3; (11)Polarizability: 7.79 ×10-24cm3; (12)Surface Tension: 27.2 dyne/cm; (13)Density: 2.269 g/cm3; (14)Flash Point: 7.8 °C; (15)Enthalpy of Vaporization: 27.3 kJ/mol; (16)Boiling Point: 40.3 °C at 760 mmHg; (17)Vapour Pressure: 437 mmHg at 25°C.
Preparation of Methane-d3, iodo-(6Cl,8Cl,9Cl): it can be prepared by tetradeuterio-methanol. This reaction will need reagents red phosphorous and I2. The yield is about 69.8% by heating.
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Uses of Methane-d3, iodo-(6Cl,8Cl,9Cl): it can react with naphthalen-1-ol to get 1-trideuteriomethoxy-naphthalene. This reaction will need reagent potassium carbonate. The reaction time is 20 hours at reaction temperature of 60°C. The yield is about 95%.
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When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation and if swallowed. And it is harmful in contact with skin and may cause sensitization by inhalation and skin contact. Moreover, it can cause burns. There is limited evidence of a carcinogenic effect. During using 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 addition, in case of insufficient ventilation, wear suitable respiratory equipment. And 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: [2H]C([2H])([2H])I
(2)InChI: InChI=1/CH3I/c1-2/h1H3/i1D3
(3)InChIKey: INQOMBQAUSQDDS-FIBGUPNXEI
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