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Molecule
1,3-Dichloropropene
CAS: 542-75-6 · C3H4Cl2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 542-75-6
- Molecular Formula
- C3H4Cl2
- Molecular Mass
- 110.97 g/mol
Identifiers
CAS Registry Number
542-75-6
SMILES
ClC=CCCl
InChI Key
UOORRWUZONOOLO-UHFFFAOYSA-N
InChI
InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2
Names and Synonyms
- 1,3-Dichloropropene Systematic Name
- 1-Propene, 1,3-dichloro- Synonym
- Propene, 1,3-dichloro- Synonym
- 1,3-Dichloro-1-propene Synonym
- 1,3-Dichloropropene Synonym
- α,γ-Dichloropropylene Synonym
- 1,3-Dichloropropylene Synonym
- γ-Chloroallyl chloride Synonym
- Telone Synonym
- 1,3-D Synonym
- 1,3-Dichloro-2-propene Synonym
- 3-Chloropropenyl chloride Synonym
- 3-Chloroallyl chloride Synonym
- Telone II Synonym
- Telone II-B Synonym
- DD 95 Synonym
- D-D 92 Synonym
- Telone 92 Synonym
- NSC 6202 Synonym
- Dorlane II Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 110.97 g/mol | CAS Common Chemistry |
| 110.97100000000002 g/mol | RDKit | |
| 110.971 g/mol | RDKit | |
| 110.965 g/mol | chempirical lib | |
| Density | 1.22 g/cm³ | CAS Common Chemistry |
| 1.220 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,3-Dichloropropene | CAS Common Chemistry |
| Boiling Point | 108 °C | CAS Common Chemistry |
| Canonical SMILES | ClC=CCCl | CAS Common Chemistry |
| InChI | InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UOORRWUZONOOLO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <-50 °C | CAS Common Chemistry |
| Name | 1,3-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 |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 110.97 g/mol; density = 1.220 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H4Cl2.
