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Bromotrifluoromethane
CAS: 75-63-8 | CBrF3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75-63-8
Molecular Formula:
CBrF3
Molecular Mass:
148.91 g/mol
Names and Synonyms:
Bromotrifluoromethane
Methane, bromotrifluoro-
Bromotrifluoromethane
Halon 1301
Bromofluoroform
Freon 13B1
Trifluoromonobromomethane
Trifluorobromomethane
Trifluoromethyl bromide
F 13B1
Monobromotrifluoromethane
R 13B1
FC 13B1
Fluorocarbon 1301
Flugex 13B1
Carbon monobromide trifluoride
Khladon 13B1
Refrigerant 13B1
FKWR 13B1
CFC 13B1
Daiflon 13B1
Carbon bromide fluoride (CBrF3)
Perfluoromethyl bromide
Halon 13B1
Identifiers:
SMILES:
FC(F)(F)Br
InChI:
InChI=1S/CBrF3/c2-1(3,4)5
Key Properties
Boiling Point
-57.8 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-172 °C
CAS Common Chemistry
Density
1.50 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 | 148.91 g/mol | CAS Common Chemistry |
| 148.909 g/mol | RDKit | |
| 147.91354676 g/mol | RDKit | |
| Density | 1.50 g/cm³ | CAS Common Chemistry |
| 1.5 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bromotrifluoromethane | CAS Common Chemistry |
| Boiling Point | -57.8 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)Br | CAS Common Chemistry |
| InChI | InChI=1S/CBrF3/c2-1(3,4)5 | CAS Common Chemistry |
| InChI Key | InChIKey=RJCQBQGAPKAMLL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -172 °C | CAS Common Chemistry |
| Name | Bromotrifluoromethane | 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 | 1.9011 | RDKit |
| Molar Refractivity | 14.982 | RDKit |
