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Molecule
Dibromochloromethane
CAS: 124-48-1 · CHBr2Cl
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 124-48-1
- Molecular Formula
- CHBr2Cl
- Molecular Mass
- 208.28 g/mol
Identifiers
CAS Registry Number
124-48-1
SMILES
ClC(Br)Br
InChI Key
GATVIKZLVQHOMN-UHFFFAOYSA-N
InChI
InChI=1S/CHBr2Cl/c2-1(3)4/h1H
Names and Synonyms
- Dibromochloromethane Common Name
- Methane, dibromochloro- Synonym
- Dibromochloromethane Synonym
- Chlorodibromomethane Synonym
- Monochlorodibromomethane Synonym
- Dibromomonochloromethane Synonym
- DBCM Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 208.28 g/mol | CAS Common Chemistry |
| 208.277 g/mol | chempirical lib | |
| Density | 2.38 g/cm³ | CAS Common Chemistry |
| 2.38 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dibromochloromethane | CAS Common Chemistry |
| Boiling Point | 120 °C | CAS Common Chemistry |
| Canonical SMILES | ClC(Br)Br | CAS Common Chemistry |
| InChI | InChI=1S/CHBr2Cl/c2-1(3)4/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=GATVIKZLVQHOMN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -20 °C | CAS Common Chemistry |
| Name | Dibromochloromethane | 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 | 2.2986000000000004 | RDKit |
| 2.2986 | RDKit | |
| Molar Refractivity | 27.494999999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 205.813351912 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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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Quick conversion
MW = 208.28 g/mol; density = 2.380 g/mL. Edit any field — others recompute live.
