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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
Names and Synonyms:
1,3-Dichloropropene
1-Propene, 1,3-dichloro-
Propene, 1,3-dichloro-
1,3-Dichloro-1-propene
1,3-Dichloropropene
α,γ-Dichloropropylene
1,3-Dichloropropylene
γ-Chloroallyl chloride
Telone
1,3-D
1,3-Dichloro-2-propene
3-Chloropropenyl chloride
3-Chloroallyl chloride
Telone II
Telone II-B
DD 95
D-D 92
Telone 92
NSC 6202
Dorlane II
Identifiers:
SMILES:
ClC=CCCl
InChI:
InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2
Key Properties
Boiling Point
108 °C
CAS Common Chemistry
Melting Point
<-50 °C
CAS Common Chemistry
Density
1.22 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 |
| 110.97100000000002 g/mol | RDKit | |
| 109.969005488 g/mol | RDKit | |
| Density | 1.22 g/cm³ | CAS Common Chemistry |
| 1.220 g/cm3 @ Temp: 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 | RDKit |
