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Molecule
Bromotrifluoromethane
CAS: 75-63-8 · CBrF3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 75-63-8
- Molecular Formula
- CBrF3
- Molecular Mass
- 148.91 g/mol
Identifiers
CAS Registry Number
75-63-8
SMILES
FC(F)(F)Br
InChI Key
RJCQBQGAPKAMLL-UHFFFAOYSA-N
InChI
InChI=1S/CBrF3/c2-1(3,4)5
Names and Synonyms
- Bromotrifluoromethane Common Name
- Methane, bromotrifluoro- Synonym
- Bromotrifluoromethane Synonym
- Halon 1301 Synonym
- Bromofluoroform Synonym
- Freon 13B1 Synonym
- Trifluoromonobromomethane Synonym
- Trifluorobromomethane Synonym
- Trifluoromethyl bromide Synonym
- F 13B1 Synonym
- Monobromotrifluoromethane Synonym
- R 13B1 Synonym
- FC 13B1 Synonym
- Fluorocarbon 1301 Synonym
- Flugex 13B1 Synonym
- Carbon monobromide trifluoride Synonym
- Khladon 13B1 Synonym
- Refrigerant 13B1 Synonym
- FKWR 13B1 Synonym
- CFC 13B1 Synonym
- Daiflon 13B1 Synonym
- Carbon bromide fluoride (CBrF3) Synonym
- Perfluoromethyl bromide Synonym
- Halon 13B1 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 148.91 g/mol | CAS Common Chemistry |
| 148.909 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 |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 147.91354676 g/mol | RDKit |
| Boiling Point | -57.8 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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.
External Resources
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MW = 148.91 g/mol; density = 1.500 g/mL. Edit any field — others recompute live.
