Back to Search
Molecule
Chloroacetaldehyde
CAS: 107-20-0 · C2H3ClO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 107-20-0
- Molecular Formula
- C2H3ClO
- Molecular Mass
- 78.50 g/mol
Identifiers
CAS Registry Number
107-20-0
SMILES
O=CCCl
InChI Key
QSKPIOLLBIHNAC-UHFFFAOYSA-N
InChI
InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2
Names and Synonyms
- Chloroacetaldehyde Common Name
- Acetaldehyde, 2-chloro- Synonym
- Acetaldehyde, chloro- Synonym
- 2-Chloroacetaldehyde Synonym
- Chloroacetaldehyde Synonym
- 2-Chloro-1-ethanal Synonym
- Monochloroacetaldehyde Synonym
- α-Chloroacetaldehyde Synonym
- 2-Chloroethanal Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 78.50 g/mol | CAS Common Chemistry |
| 78.49799999999999 g/mol | RDKit | |
| 78.498 g/mol | RDKit | |
| 78.495 g/mol | chempirical lib | |
| Density | 1.19 g/cm³ | CAS Common Chemistry |
| 1.19 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chloroacetaldehyde | CAS Common Chemistry |
| Canonical SMILES | O=CCCl | CAS Common Chemistry |
| InChI | InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QSKPIOLLBIHNAC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -16.3 °C | CAS Common Chemistry |
| Name | Chloroacetaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 0.42410000000000003 | RDKit |
| 0.4241 | RDKit | |
| Molar Refractivity | 16.784 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 77.987242396 g/mol | RDKit |
| Boiling Point | 85-86 °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
Convert
Quick conversion
MW = 78.50 g/mol; density = 1.190 g/mL. Edit any field — others recompute live.
