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Molecule
Iodomethane
CAS: 74-88-4 · CH3I
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 74-88-4
- Molecular Formula
- CH3I
- Molecular Mass
- 141.94 g/mol
Identifiers
CAS Registry Number
74-88-4
SMILES
CI
InChI Key
INQOMBQAUSQDDS-UHFFFAOYSA-N
InChI
InChI=1S/CH3I/c1-2/h1H3
Names and Synonyms
- Iodomethane Common Name
- Methane, iodo- Synonym
- Iodomethane Synonym
- Methyl iodide Synonym
- Methyl iodide (CH3I) Synonym
- Monoiodomethane Synonym
- NSC 9366 Synonym
- Ioguard Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 141.94 g/mol | CAS Common Chemistry |
| 141.939 g/mol | RDKit | |
| Density | 2.28 g/cm³ | CAS Common Chemistry |
| 2.28 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Iodomethane | CAS Common Chemistry |
| Boiling Point | 42.5 °C | CAS Common Chemistry |
| Canonical SMILES | IC | CAS Common Chemistry |
| InChI | InChI=1S/CH3I/c1-2/h1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=INQOMBQAUSQDDS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -66.5 °C | CAS Common Chemistry |
| Name | Methyl iodide | CAS Common Chemistry |
| Iodomethane | 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 |
| 1.0512 | RDKit | |
| Molar Refractivity | 19.943999999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 141.927948096 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 141.94 g/mol; density = 2.280 g/mL. Edit any field — others recompute live.
