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Molecule
Bromochlorodifluoromethane
CAS: 353-59-3 · CBrClF2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 353-59-3
- Molecular Formula
- CBrClF2
- Molecular Mass
- 165.36 g/mol
Identifiers
CAS Registry Number
353-59-3
SMILES
FC(F)(Cl)Br
InChI Key
MEXUFEQDCXZEON-UHFFFAOYSA-N
InChI
InChI=1S/CBrClF2/c2-1(3,4)5
Names and Synonyms
- Bromochlorodifluoromethane Synonym
- Methane, bromochlorodifluoro- Synonym
- Bromochlorodifluoromethane Synonym
- Freon 12B1 Synonym
- Halon 1211 Synonym
- R 12B1 Synonym
- Difluorochlorobromomethane Synonym
- Fluorocarbon 1211 Synonym
- Flugex 12B1 Synonym
- BCF Synonym
- Chlorobromodifluoromethane Synonym
- Daiflon 12B1 Synonym
- F 12B1 Synonym
- H 1211 Synonym
- BCF (halocarbon) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.36 g/mol | CAS Common Chemistry |
| 165.364 g/mol | RDKit | |
| 165.361 g/mol | chempirical lib | |
| Density | 1.92 g/cm³ | CAS Common Chemistry |
| 1.917 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bromochlorodifluoromethane | CAS Common Chemistry |
| Boiling Point | -3.7 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(Cl)Br | CAS Common Chemistry |
| InChI | InChI=1S/CBrClF2/c2-1(3,4)5 | CAS Common Chemistry |
| InChI Key | InChIKey=MEXUFEQDCXZEON-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -159.5 °C | CAS Common Chemistry |
| Name | Bromochlorodifluoromethane | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 2.1704 | RDKit |
| Molar Refractivity | 19.727 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 163.88399622 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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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Quick conversion
MW = 165.36 g/mol; density = 1.920 g/mL. Edit any field — others recompute live.
