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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
Freon 160
Chloryle anesthetic
F 160
R 160
Monochloroethane
Dublofix
Cloretilo
Chlorene
Ethyl chloride
Narcotile
Muriatic ether
Monochlorethane
Kelene
Hydrochloric ether
Ether muriatic
Ether hydrochloric
Ether chloratus
Chloryl Anesthetic
Chloryl
Chloridum
Chlorethyl
Chelen
Anodynon
Aethylis chloridum
Aethylis
Chloroethane
Ethane, chloro-
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
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 | 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 |
| LogP | 1.2451 | RDKit |
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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 16.394000000000002 | RDKit |
