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Molecule
Bromochloromethane
CAS: 74-97-5 · CH2BrCl
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 74-97-5
- Molecular Formula
- CH2BrCl
- Molecular Mass
- 129.38 g/mol
Identifiers
CAS Registry Number
74-97-5
SMILES
ClCBr
InChI Key
JPOXNPPZZKNXOV-UHFFFAOYSA-N
InChI
InChI=1S/CH2BrCl/c2-1-3/h1H2
Names and Synonyms
- Bromochloromethane Synonym
- Methane, bromochloro- Synonym
- Bromochloromethane Synonym
- Halon 1011 Synonym
- Chlorobromomethane Synonym
- Monochloromonobromomethane Synonym
- Fluorocarbon 1011 Synonym
- Methylene bromide chloride Synonym
- NSC 7294 Synonym
- Cathay HL 52 Synonym
- HL 52 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 129.38 g/mol | CAS Common Chemistry |
| 129.384 g/mol | RDKit | |
| 129.381 g/mol | chempirical lib | |
| Density | 1.93 g/cm³ | CAS Common Chemistry |
| 1.9344 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bromochloromethane | CAS Common Chemistry |
| Boiling Point | 68.0 °C | CAS Common Chemistry |
| Canonical SMILES | ClCBr | CAS Common Chemistry |
| InChI | InChI=1S/CH2BrCl/c2-1-3/h1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JPOXNPPZZKNXOV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -87.9 °C | CAS Common Chemistry |
| Name | Bromochloromethane | CAS Common Chemistry |
| Heavy Atom Count | 3 | 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 | 1.5776 | RDKit |
| Molar Refractivity | 19.647 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 127.902839844 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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 = 129.38 g/mol; density = 1.930 g/mL. Edit any field — others recompute live.
