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Methyl-D3 Iodide
CAS: 865-50-9 | CH3I
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
865-50-9
Molecular Formula:
CH3I
Molecular Mass:
144.96 g/mol
Names and Synonyms:
Methyl-D3 Iodide
Methane-d3, iodo-
Iodomethane-d3
Trideuteromethyl iodide
Methyl-d3 iodide
Trideuterioiodomethane
Trideuteriomethyl iodide
Perdeuteriomethyl iodide
Perdeuteroiodomethane
Iodotrideuteriomethane
Methyl iodide (CD3I)
Trideutero(iodo)methane
Identifiers:
SMILES:
[2H]C([2H])([2H])I
InChI:
InChI=1S/CH3I/c1-2/h1H3/i1D3
Key Properties
Boiling Point
40-42 °C @ Press: 760 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.96 g/mol | CAS Common Chemistry |
| 144.957305334 g/mol | RDKit | |
| 144.946778334 g/mol | RDKit | |
| InChI Key | InChIKey=INQOMBQAUSQDDS-FIBGUPNXSA-N | CAS Common Chemistry |
| Boiling Point | 40-42 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | IC | CAS Common Chemistry |
| InChI | InChI=1S/CH3I/c1-2/h1H3/i1D3 | CAS Common Chemistry |
| Name | Methyl-d3 iodide | CAS Common Chemistry |
| Heavy Atom Count | 2 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.0512000000000001 | RDKit |
| Molar Refractivity | 19.944 | RDKit |
