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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
Names and Synonyms:
Iodomethane
Methane, iodo-
Iodomethane
Methyl iodide
Methyl iodide (CH3I)
Monoiodomethane
NSC 9366
Ioguard
Identifiers:
SMILES:
CI
InChI:
InChI=1S/CH3I/c1-2/h1H3
Key Properties
Boiling Point
42.5 °C
CAS Common Chemistry
Melting Point
-66.5 °C
CAS Common Chemistry
Density
2.28 g/cm³
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 | 141.94 g/mol | CAS Common Chemistry |
| 141.939 g/mol | RDKit | |
| 141.927948096 g/mol | RDKit | |
| Density | 2.28 g/cm³ | CAS Common Chemistry |
| 2.28 g/cm3 @ Temp: 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 |
| Molar Refractivity | 19.943999999999996 | RDKit |
