Back to Search
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
Names and Synonyms:
Chloroacetaldehyde
Acetaldehyde, 2-chloro-
Acetaldehyde, chloro-
2-Chloroacetaldehyde
Chloroacetaldehyde
2-Chloro-1-ethanal
Monochloroacetaldehyde
α-Chloroacetaldehyde
2-Chloroethanal
Identifiers:
SMILES:
O=CCCl
InChI:
InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2
Key Properties
Boiling Point
85-86 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-16.3 °C
CAS Common Chemistry
Density
1.19 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 | 78.50 g/mol | CAS Common Chemistry |
| 78.49799999999999 g/mol | RDKit | |
| 77.987242396 g/mol | RDKit | |
| 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 |
| Boiling Point | 85-86 °C @ Press: 760 Torr | 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 |
| Molar Refractivity | 16.784 | RDKit |
