4-Chlorostyrene

C₈H₇ClCAS 1073-67-2138.59 g/mol

Open in Covalent MOL file

Alkene Aryl halide

Properties

Molecular formula: C₈H₇Cl
Molar mass: 138.59 g/mol
Exact mass: 138.0236 Da
Density: 1.0868 g/mL (at 20 °C)
Melting point: −15.9 °C
Boiling point: 192 °C
logP: 2.98Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor18.2% of notifiers
H315 Causes skin irritation90.9% of notifiers
H319 Causes serious eye irritation81.8% of notifiers
H335 May cause respiratory irritation72.7% of notifiers
H411 Toxic to aquatic life with long lasting effects18.2% of notifiers

Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

1073-67-2

SMILES

C=Cc1ccc(Cl)cc1

InChIKey

KTZVZZJJVJQZHV-UHFFFAOYSA-N

InChI

InChI=1S/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

10 names

Benzene, 1-chloro-4-ethenyl-
Styrene, p-chloro-
1-Chloro-4-ethenylbenzene
p-Chlorostyrene
p-Vinylphenyl chloride
4-Chloro-1-ethenylbenzene
(4-Chlorophenyl)ethene
p-Chlorovinylbenzene
NSC 18603
1-Chloro-4-vinylbenzene

Work with 4-Chlorostyrene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4′-Diethenyl-1,1′-biphenyl4433-13-057 % similar P,P'-Divinyl-1,2-diphenylethane48174-52-352 % similar Styrene100-42-550 % similar 4-Chlorobenzaldehyde104-88-150 % similar 1,4-Dichlorobenzene106-46-750 % similar 4-Aminostyrene1520-21-450 % similar 4-Vinylbenzyl chloride1592-20-750 % similar 4-Vinylbenzaldehyde1791-26-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chlorostyrene2039-85-2 2-Chlorostyrene2039-87-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook