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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
Names and Synonyms:
Bromochlorodifluoromethane
Methane, bromochlorodifluoro-
Bromochlorodifluoromethane
Freon 12B1
Halon 1211
R 12B1
Difluorochlorobromomethane
Fluorocarbon 1211
Flugex 12B1
BCF
Chlorobromodifluoromethane
Daiflon 12B1
F 12B1
H 1211
BCF (halocarbon)
Identifiers:
SMILES:
FC(F)(Cl)Br
InChI:
InChI=1S/CBrClF2/c2-1(3,4)5
Key Properties
Boiling Point
-3.7 °C
CAS Common Chemistry
Melting Point
-159.5 °C
CAS Common Chemistry
Density
1.92 g/cm³
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 | 165.36 g/mol | CAS Common Chemistry |
| 165.364 g/mol | RDKit | |
| 163.88399622 g/mol | RDKit | |
| 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 | RDKit |
