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Chloroethane
CAS: 75-00-3 | C2H5Cl
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75-00-3
Molecular Formula:
C2H5Cl
Molecular Weight:
64.515 g/mol
Names and Synonyms:
Chloroethane
Common Name
Freon 160
Synonym
Chloryle anesthetic
Synonym
F 160
Synonym
R 160
Synonym
Monochloroethane
Synonym
Dublofix
Synonym
Cloretilo
Synonym
Chlorene
Synonym
Ethyl chloride
Synonym
Narcotile
Synonym
Muriatic ether
Synonym
Monochlorethane
Synonym
Kelene
Synonym
Hydrochloric ether
Synonym
Ether muriatic
Synonym
Ether hydrochloric
Synonym
Ether chloratus
Synonym
Chloryl Anesthetic
Synonym
Chloryl
Synonym
Chloridum
Synonym
Chlorethyl
Synonym
Chelen
Synonym
Anodynon
Synonym
Aethylis chloridum
Synonym
Aethylis
Synonym
Chloroethane
Synonym
Ethane, chloro-
Synonym
Identifiers:
SMILES:
CCCl
InChI:
InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
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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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 64.515 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 64.00797784 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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.2451 | RDKit |
| molecular_mass | 64.52 g/mol | Legacy Database |
| density | 0.92 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Chloroethane None | Legacy Database |
| cas-boiling-point | 12.3 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | ClCC None | Legacy Database |
| cas-density | 0.9214 g/cm3 @ Temp: 0 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=HRYZWHHZPQKTII-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -138.7 °C None | Legacy Database |
| cas-name | Chloroethane None | Legacy Database |
| wikipedia-name | Chloroethane None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 16.394000000000002 | RDKit |