Back to Search
2,3-Dichloropropene
CAS: 78-88-6 | C3H4Cl2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
78-88-6
Molecular Formula:
C3H4Cl2
Molecular Mass:
110.97 g/mol
Names and Synonyms:
2,3-Dichloropropene
1-Propene, 2,3-dichloro-
Propene, 2,3-dichloro-
2,3-Dichloro-1-propene
2,3-Dichloropropene
2-Chloroallyl chloride
2,3-Dichloropropylene
NSC 60520
HCO 125OXF
Identifiers:
SMILES:
C=C(Cl)CCl
InChI:
InChI=1S/C3H4Cl2/c1-3(5)2-4/h1-2H2
Key Properties
Boiling Point
94 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
10 °C
CAS Common Chemistry
Density
1.21 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 | 110.97 g/mol | CAS Common Chemistry |
| 110.971 g/mol | RDKit | |
| 109.969005488 g/mol | RDKit | |
| Density | 1.21 g/cm³ | CAS Common Chemistry |
| 1.211 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 94 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC(=C)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C3H4Cl2/c1-3(5)2-4/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FALCMQXTWHPRIH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 10 °C | CAS Common Chemistry |
| Name | 2,3-Dichloropropene | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.9777 | RDKit |
| Molar Refractivity | 25.712999999999994 | RDKit |
