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Halon 1011
CAS: 74-97-5 | CH2BrCl
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
74-97-5
Molecular Formula:
CH2BrCl
Molecular Weight:
129.384 g/mol
Names and Synonyms:
Halon 1011
Bromochloromethane
Methane, bromochloro-
Bromochloromethane
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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 129.38 g/mol | Legacy Database |
| density | 1.93 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Bromochloromethane None | Legacy Database |
| cas-boiling-point | 68.0 °C None | Legacy Database |
| cas-canonical-smile | ClCBr None | Legacy Database |
| cas-density | 1.9344 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/CH2BrCl/c2-1-3/h1H2 None | Legacy Database |
| cas-inchi-key | InChIKey=JPOXNPPZZKNXOV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -87.9 °C None | Legacy Database |
| cas-name | Bromochloromethane None | Legacy Database |
| wikipedia-name | Bromochloromethane None | Legacy Database |
| LogP | 1.5776 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 129.384 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 127.902839844 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.647 | RDKit |
