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Molecule
2-Chloroethanol
CAS: 107-07-3 · C2H5ClO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 107-07-3
- Molecular Formula
- C2H5ClO
- Molecular Mass
- 80.51 g/mol
Identifiers
CAS Registry Number
107-07-3
SMILES
OCCCl
InChI Key
SZIFAVKTNFCBPC-UHFFFAOYSA-N
InChI
InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2
Names and Synonyms
- 2-Chloroethanol Synonym
- Ethanol, 2-chloro- Synonym
- 2-Chloroethanol Synonym
- β-Chloroethyl alcohol Synonym
- 2-Chloroethyl alcohol Synonym
- Ethylene chlorhydrin Synonym
- Ethylene chlorohydrin Synonym
- Glycol monochlorohydrin Synonym
- Ethylchlorohydrin Synonym
- β-Chloroethanol Synonym
- Chloroethanol Synonym
- β-Hydroxyethyl chloride Synonym
- 2-Chloro-1-ethanol Synonym
- 2-Hydroxyethyl chloride Synonym
- Ethene chlorohydrin Synonym
- Glycol chlorohydrin Synonym
- 2-Chloro-1-hydroxyethane Synonym
- 1-Chloro-2-hydroxyethane Synonym
- NSC 122289 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 80.51 g/mol | CAS Common Chemistry |
| 80.51400000000001 g/mol | RDKit | |
| 80.514 g/mol | RDKit | |
| 80.511 g/mol | chempirical lib | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.197 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Chloroethanol | CAS Common Chemistry |
| Canonical SMILES | ClCCO | CAS Common Chemistry |
| InChI | InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SZIFAVKTNFCBPC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -67.5 °C | CAS Common Chemistry |
| Name | 2-Chloroethanol | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.21749999999999997 | RDKit |
| 0.2175 | RDKit | |
| Molar Refractivity | 17.805799999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 80.00289246 g/mol | RDKit |
| Boiling Point | 128-130 °C @ 760 Torr | CAS Common Chemistry |
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
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Quick conversion
MW = 80.51 g/mol; density = 1.200 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H5ClO.
