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Molecule
Bromodichloromethane
CAS: 75-27-4 · CHBrCl2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 75-27-4
- Molecular Formula
- CHBrCl2
- Molecular Mass
- 163.83 g/mol
Identifiers
CAS Registry Number
75-27-4
SMILES
ClC(Cl)Br
InChI Key
FMWLUWPQPKEARP-UHFFFAOYSA-N
InChI
InChI=1S/CHBrCl2/c2-1(3)4/h1H
Names and Synonyms
- Bromodichloromethane Common Name
- Methane, bromodichloro- Synonym
- Bromodichloromethane Synonym
- Dichlorobromomethane Synonym
- Monobromodichloromethane Synonym
- Dichloromonobromomethane Synonym
- NSC 8018 Synonym
- BDCM Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 163.83 g/mol | CAS Common Chemistry |
| 163.829 g/mol | RDKit | |
| 163.823 g/mol | chempirical lib | |
| Density | 1.98 g/cm³ | CAS Common Chemistry |
| 1.980 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bromodichloromethane | CAS Common Chemistry |
| Boiling Point | 90 °C | CAS Common Chemistry |
| Canonical SMILES | ClC(Cl)Br | CAS Common Chemistry |
| InChI | InChI=1S/CHBrCl2/c2-1(3)4/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=FMWLUWPQPKEARP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -57 °C | CAS Common Chemistry |
| Name | Bromodichloromethane | 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 | 2.1425 | RDKit |
| Molar Refractivity | 24.420999999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 161.863867492 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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 |
|---|
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 = 163.83 g/mol; density = 1.980 g/mL. Edit any field — others recompute live.
