Back to Search
Molecule
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
Identifiers
CAS Registry Number
107-04-0
SMILES
ClCCBr
InChI Key
IBYHHJPAARCAIE-UHFFFAOYSA-N
InChI
InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2
Names and Synonyms
- 1-Bromo-2-Chloroethane Synonym
- Ethane, 1-bromo-2-chloro- Synonym
- 2-Chloroethyl bromide Synonym
- 2-Bromoethyl chloride Synonym
- β-Chloroethyl bromide Synonym
- NSC 60186 Synonym
- 1-Bromo-2-chloroethane Synonym
- 1-Chloro-2-bromoethane Synonym
- Ethylene chlorobromide Synonym
- 2-Bromo-1-chloroethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.41 g/mol | CAS Common Chemistry |
| 143.411 g/mol | RDKit | |
| 143.408 g/mol | chempirical lib | |
| Density | 1.74 g/cm³ | CAS Common Chemistry |
| 1.7392 g/cm3 @ 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 |
| 1.6201 | RDKit | |
| Molar Refractivity | 24.513999999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 141.918489908 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
Convert
Quick conversion
MW = 143.41 g/mol; density = 1.740 g/mL. Edit any field — others recompute live.
