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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 Weight:
94.939 g/mol
Names and Synonyms:
Bromomethane
F 40B1
Methybrom
Brom-O-Gas
1-Bromomethane
R 40B1
Curafume
Halon 1001
Haltox
Terabol
Monobromomethane
Methyl bromide
Iscobrome
Embafume
Bromomethane
Methane, bromo-
Identifiers:
SMILES:
CBr
InChI:
InChI=1S/CH3Br/c1-2/h1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 94.939 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 93.941812196 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 2 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.0110999999999999 | RDKit |
| cas-name | Methyl bromide None | Legacy Database |
| molecular_mass | 94.94 g/mol | Legacy Database |
| wikipedia-name | Bromomethane None | Legacy Database |
| density | 1.70 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Bromomethane None | Legacy Database |
| cas-boiling-point | 3.5 °C None | Legacy Database |
| cas-canonical-smile | BrC None | Legacy Database |
| cas-density | 1.7 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/CH3Br/c1-2/h1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=GZUXJHMPEANEGY-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -93.66 °C None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 14.851 | RDKit |
