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4-Chlorostyrene
CAS: 1073-67-2 | C8H7Cl
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1073-67-2
Molecular Formula:
C8H7Cl
Molecular Mass:
138.60 g/mol
Names and Synonyms:
4-Chlorostyrene
Benzene, 1-chloro-4-ethenyl-
Styrene, p-chloro-
1-Chloro-4-ethenylbenzene
p-Chlorostyrene
4-Chlorostyrene
p-Vinylphenyl chloride
4-Chloro-1-ethenylbenzene
(4-Chlorophenyl)ethene
p-Chlorovinylbenzene
NSC 18603
1-Chloro-4-vinylbenzene
Identifiers:
SMILES:
C=Cc1ccc(Cl)cc1
InChI:
InChI=1S/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
Key Properties
Boiling Point
192 °C
CAS Common Chemistry
Melting Point
-15.90 °C
CAS Common Chemistry
Density
1.09 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 | 138.60 g/mol | CAS Common Chemistry |
| 138.597 g/mol | RDKit | |
| 138.023627904 g/mol | RDKit | |
| Density | 1.09 g/cm³ | CAS Common Chemistry |
| 1.0868 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 192 °C | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=C(C=C)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KTZVZZJJVJQZHV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -15.90 °C | CAS Common Chemistry |
| Name | 4-Chlorostyrene | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 | 2.9830000000000014 | RDKit |
| Molar Refractivity | 41.54300000000002 | RDKit |
