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1-Bromo-2-Chloroethane
CAS: 107-04-0 | C2H4BrCl
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
107-04-0
Molecular Formula:
C2H4BrCl
Molecular Mass:
143.41 g/mol
Names and Synonyms:
1-Bromo-2-Chloroethane
Ethane, 1-bromo-2-chloro-
2-Chloroethyl bromide
2-Bromoethyl chloride
β-Chloroethyl bromide
NSC 60186
1-Bromo-2-chloroethane
1-Chloro-2-bromoethane
Ethylene chlorobromide
2-Bromo-1-chloroethane
Identifiers:
SMILES:
ClCCBr
InChI:
InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2
Key Properties
Boiling Point
107 °C
CAS Common Chemistry
Melting Point
-16.7 °C
CAS Common Chemistry
Density
1.74 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 | 143.41 g/mol | CAS Common Chemistry |
| 143.411 g/mol | RDKit | |
| 141.918489908 g/mol | RDKit | |
| Density | 1.74 g/cm³ | CAS Common Chemistry |
| 1.7392 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 107 °C | CAS Common Chemistry |
| Canonical SMILES | ClCCBr | CAS Common Chemistry |
| InChI | InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IBYHHJPAARCAIE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -16.7 °C | CAS Common Chemistry |
| Name | 1-Bromo-2-chloroethane | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.6200999999999999 | RDKit |
| Molar Refractivity | 24.513999999999996 | RDKit |
