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Molecule
2,3-Dichloropropene
CAS: 78-88-6 · C3H4Cl2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 78-88-6
- Molecular Formula
- C3H4Cl2
- Molecular Mass
- 110.97 g/mol
Identifiers
CAS Registry Number
78-88-6
SMILES
C=C(Cl)CCl
InChI Key
FALCMQXTWHPRIH-UHFFFAOYSA-N
InChI
InChI=1S/C3H4Cl2/c1-3(5)2-4/h1-2H2
Names and Synonyms
- 2,3-Dichloropropene Systematic Name
- 1-Propene, 2,3-dichloro- Synonym
- Propene, 2,3-dichloro- Synonym
- 2,3-Dichloro-1-propene Synonym
- 2,3-Dichloropropene Synonym
- 2-Chloroallyl chloride Synonym
- 2,3-Dichloropropylene Synonym
- NSC 60520 Synonym
- HCO 125OXF Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 110.97 g/mol | CAS Common Chemistry |
| 110.971 g/mol | RDKit | |
| 110.965 g/mol | chempirical lib | |
| Density | 1.21 g/cm³ | CAS Common Chemistry |
| 1.211 g/cm3 @ 20 °C | 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 109.969005488 g/mol | RDKit |
| Boiling Point | 94 °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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MW = 110.97 g/mol; density = 1.210 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H4Cl2.
