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Molecule
Dibromofluoromethane
CAS: 1868-53-7 · CHBr2F
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1868-53-7
- Molecular Formula
- CHBr2F
- Molecular Mass
- 191.83 g/mol
Identifiers
CAS Registry Number
1868-53-7
SMILES
FC(Br)Br
InChI Key
LTUTVFXOEGMHMP-UHFFFAOYSA-N
InChI
InChI=1S/CHBr2F/c2-1(3)4/h1H
Names and Synonyms
- Dibromofluoromethane Common Name
- Methane, dibromofluoro- Synonym
- Dibromofluoromethane Synonym
- Fluorodibromomethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 191.83 g/mol | CAS Common Chemistry |
| 191.825 g/mol | RDKit | |
| Density | 2.43 g/cm³ | CAS Common Chemistry |
| 2.4256 g/cm3 @ 18.5 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dibromofluoromethane | CAS Common Chemistry |
| Boiling Point | 64.9 °C | CAS Common Chemistry |
| Canonical SMILES | FC(Br)Br | CAS Common Chemistry |
| InChI | InChI=1S/CHBr2F/c2-1(3)4/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=LTUTVFXOEGMHMP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -78 °C | CAS Common Chemistry |
| Name | Dibromofluoromethane | CAS Common Chemistry |
| Heavy Atom Count | 4 | 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 | 2.0293 | RDKit |
| Molar Refractivity | 22.749999999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 189.842902452 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
External Resources
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MW = 191.83 g/mol; density = 2.430 g/mL. Edit any field — others recompute live.
