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Molecule
Bromomethane
CAS: 74-83-9 · CH3Br
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 74-83-9
- Molecular Formula
- CH3Br
- Molecular Mass
- 94.94 g/mol
Identifiers
CAS Registry Number
74-83-9
SMILES
CBr
InChI Key
GZUXJHMPEANEGY-UHFFFAOYSA-N
InChI
InChI=1S/CH3Br/c1-2/h1H3
Names and Synonyms
- Bromomethane Common Name
- Methane, bromo- Synonym
- Bromomethane Synonym
- Embafume Synonym
- Iscobrome Synonym
- Methyl bromide Synonym
- Monobromomethane Synonym
- Terabol Synonym
- Haltox Synonym
- Halon 1001 Synonym
- Curafume Synonym
- R 40B1 Synonym
- 1-Bromomethane Synonym
- Brom-O-Gas Synonym
- Methybrom Synonym
- F 40B1 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 94.94 g/mol | CAS Common Chemistry |
| 94.939 g/mol | RDKit | |
| Density | 1.70 g/cm³ | CAS Common Chemistry |
| 1.7 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bromomethane | CAS Common Chemistry |
| Boiling Point | 3.5 °C | CAS Common Chemistry |
| Canonical SMILES | BrC | CAS Common Chemistry |
| InChI | InChI=1S/CH3Br/c1-2/h1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GZUXJHMPEANEGY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -93.66 °C | CAS Common Chemistry |
| Name | Methyl bromide | CAS Common Chemistry |
| Bromomethane | 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 | 1.0110999999999999 | RDKit |
| 1.0111 | RDKit | |
| Molar Refractivity | 14.851 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 93.941812196 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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100
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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 = 94.94 g/mol; density = 1.700 g/mL. Edit any field — others recompute live.
