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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 Mass:
64.52 g/mol
Names and Synonyms:
Chloroethane
Ethane, chloro-
Chloroethane
Aethylis
Aethylis chloridum
Anodynon
Chelen
Chlorethyl
Chloridum
Chloryl
Chloryl Anesthetic
Ether chloratus
Ether hydrochloric
Ether muriatic
Hydrochloric ether
Kelene
Monochlorethane
Muriatic ether
Narcotile
Ethyl chloride
Chlorene
Cloretilo
Dublofix
Monochloroethane
R 160
F 160
Chloryle anesthetic
Freon 160
Identifiers:
SMILES:
CCCl
InChI:
InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3
Key Properties
Boiling Point
12.3 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-138.7 °C
CAS Common Chemistry
Density
0.92 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 | 64.52 g/mol | CAS Common Chemistry |
| 64.515 g/mol | RDKit | |
| 64.00797784 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.9214 g/cm3 @ Temp: 0 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chloroethane | CAS Common Chemistry |
| Boiling Point | 12.3 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | ClCC | CAS Common Chemistry |
| InChI | InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HRYZWHHZPQKTII-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -138.7 °C | CAS Common Chemistry |
| Name | Chloroethane | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.2451 | RDKit |
| Molar Refractivity | 16.394000000000002 | RDKit |
