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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 Weight:
148.909 g/mol
Names and Synonyms:
Bromotrifluoromethane
Halon 13B1
Perfluoromethyl bromide
Carbon bromide fluoride (CBrF3)
Daiflon 13B1
CFC 13B1
FKWR 13B1
Refrigerant 13B1
Khladon 13B1
Carbon monobromide trifluoride
Flugex 13B1
Fluorocarbon 1301
FC 13B1
R 13B1
Monobromotrifluoromethane
F 13B1
Trifluoromethyl bromide
Trifluorobromomethane
Trifluoromonobromomethane
Freon 13B1
Bromofluoroform
Halon 1301
Bromotrifluoromethane
Methane, bromotrifluoro-
Identifiers:
SMILES:
FC(F)(F)Br
InChI:
InChI=1S/CBrF3/c2-1(3,4)5
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 |
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 148.91 g/mol | Legacy Database |
| density | 1.50 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Bromotrifluoromethane None | Legacy Database |
| cas-boiling-point | -57.8 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | FC(F)(F)Br None | Legacy Database |
| cas-density | 1.5 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/CBrF3/c2-1(3,4)5 None | Legacy Database |
| cas-inchi-key | InChIKey=RJCQBQGAPKAMLL-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -172 °C None | Legacy Database |
| cas-name | Bromotrifluoromethane None | Legacy Database |
| wikipedia-name | Bromotrifluoromethane None | Legacy Database |
| LogP | 1.9011 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 148.909 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 147.91354676 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 14.982 | RDKit |
