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Molecule
Tribromofluoromethane
CAS: 353-54-8 · CBr3F
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 353-54-8
- Molecular Formula
- CBr3F
- Molecular Mass
- 270.72 g/mol
Identifiers
CAS Registry Number
353-54-8
SMILES
FC(Br)(Br)Br
InChI Key
IHZAEIHJPNTART-UHFFFAOYSA-N
InChI
InChI=1S/CBr3F/c2-1(3,4)5
Names and Synonyms
- Tribromofluoromethane Synonym
- Methane, tribromofluoro- Synonym
- Tribromofluoromethane Synonym
- Fluorotribromomethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 270.72 g/mol | CAS Common Chemistry |
| 270.721 g/mol | RDKit | |
| Density | 2.76 g/cm³ | CAS Common Chemistry |
| 2.7648 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tribromofluoromethane | CAS Common Chemistry |
| Boiling Point | 108 °C | CAS Common Chemistry |
| Canonical SMILES | FC(Br)(Br)Br | CAS Common Chemistry |
| InChI | InChI=1S/CBr3F/c2-1(3,4)5 | CAS Common Chemistry |
| InChI Key | InChIKey=IHZAEIHJPNTART-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -73.6 °C | CAS Common Chemistry |
| Name | Tribromofluoromethane | 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 | 2.7519 | RDKit |
| Molar Refractivity | 30.619999999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 267.75341452 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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
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 = 270.72 g/mol; density = 2.760 g/mL. Edit any field — others recompute live.
