Back to Search
2,6-Dichlorostyrene
CAS: 28469-92-3 | C8H6Cl2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
28469-92-3
Molecular Formula:
C8H6Cl2
Molecular Mass:
173.04 g/mol
Names and Synonyms:
2,6-Dichlorostyrene
Benzene, 1,3-dichloro-2-ethenyl-
Styrene, 2,6-dichloro-
1,3-Dichloro-2-ethenylbenzene
2,6-Dichlorostyrene
1,3-Dichloro-2-vinylbenzene
NSC 89716
Identifiers:
SMILES:
C=Cc1c(Cl)cccc1Cl
InChI:
InChI=1S/C8H6Cl2/c1-2-6-7(9)4-3-5-8(6)10/h2-5H,1H2
Key Properties
Boiling Point
57-60 °C @ Press: 3.0 Torr
CAS Common Chemistry
Melting Point
89 °C
CAS Common Chemistry
Density
1.28 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 | 173.04 g/mol | CAS Common Chemistry |
| 173.04199999999997 g/mol | RDKit | |
| 171.984655552 g/mol | RDKit | |
| Density | 1.28 g/cm³ | CAS Common Chemistry |
| 1.28 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 57-60 °C @ Press: 3.0 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=CC(Cl)=C1C=C | CAS Common Chemistry |
| InChI | InChI=1S/C8H6Cl2/c1-2-6-7(9)4-3-5-8(6)10/h2-5H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YJCVRMIJBXTMNR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 89 °C | CAS Common Chemistry |
| Name | 2,6-Dichlorostyrene | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.636400000000001 | RDKit |
| Molar Refractivity | 46.55300000000002 | RDKit |
