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Bromochloromethane
CAS: 74-97-5 | CH2BrCl
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
74-97-5
Molecular Formula:
CH2BrCl
Molecular Mass:
129.38 g/mol
Names and Synonyms:
Bromochloromethane
Methane, bromochloro-
Bromochloromethane
Halon 1011
Chlorobromomethane
Monochloromonobromomethane
Fluorocarbon 1011
Methylene bromide chloride
NSC 7294
Cathay HL 52
HL 52
Identifiers:
SMILES:
ClCBr
InChI:
InChI=1S/CH2BrCl/c2-1-3/h1H2
Key Properties
Boiling Point
68.0 °C
CAS Common Chemistry
Melting Point
-87.9 °C
CAS Common Chemistry
Density
1.93 g/cm³
CAS Common Chemistry
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 |
|---|
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 129.38 g/mol | CAS Common Chemistry |
| 129.384 g/mol | RDKit | |
| 127.902839844 g/mol | RDKit | |
| Density | 1.93 g/cm³ | CAS Common Chemistry |
| 1.9344 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bromochloromethane | CAS Common Chemistry |
| Boiling Point | 68.0 °C | CAS Common Chemistry |
| Canonical SMILES | ClCBr | CAS Common Chemistry |
| InChI | InChI=1S/CH2BrCl/c2-1-3/h1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JPOXNPPZZKNXOV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -87.9 °C | CAS Common Chemistry |
| Name | Bromochloromethane | CAS Common Chemistry |
| Heavy Atom Count | 3 | 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 | 1.5776 | RDKit |
| Molar Refractivity | 19.647 | RDKit |
