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Bromomethyl Methyl Ether
CAS: 13057-17-5 | C2H5BrO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13057-17-5
Molecular Formula:
C2H5BrO
Molecular Mass:
124.96 g/mol
Names and Synonyms:
Bromomethyl Methyl Ether
Methane, bromomethoxy-
Ether, bromomethyl methyl
Bromomethoxymethane
Bromomethyl methyl ether
Methoxymethyl bromide
NSC 155338
1-Bromomethyl methyl ether
Identifiers:
SMILES:
COCBr
InChI:
InChI=1S/C2H5BrO/c1-4-2-3/h2H2,1H3
Key Properties
Boiling Point
87 °C
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 | 124.96 g/mol | CAS Common Chemistry |
| 124.965 g/mol | RDKit | |
| 123.95237688 g/mol | RDKit | |
| Boiling Point | 87 °C | CAS Common Chemistry |
| Canonical SMILES | BrCOC | CAS Common Chemistry |
| InChI | InChI=1S/C2H5BrO/c1-4-2-3/h2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JAMFGQBENKSWOF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bromomethyl methyl ether | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 0.9852000000000001 | RDKit |
| Molar Refractivity | 20.802999999999994 | RDKit |
