chempirical

3-Chlorostyrene

C8H7ClCAS 2039-85-2138.59 g/mol

Open in Covalent MOL file
Cl
AlkeneAryl halide

Properties

Molecular formula
C8H7Cl
Molar mass
138.59 g/mol
Exact mass
138.0236 Da
Density
1.1168 g/mL (at 20 °C)
Boiling point
188.7 °C
logP
2.98Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
2039-85-2
SMILES
C=Cc1cccc(Cl)c1
InChIKey
BOVQCIDBZXNFEJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7Cl/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2

Weigh it out

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

Names and synonyms

8 names
  • Benzene, 1-chloro-3-ethenyl-
  • Styrene, m-chloro-
  • 1-Chloro-3-ethenylbenzene
  • m-Chlorostyrene
  • 3-Chlorovinylbenzene
  • 3-Chlorophenylethene
  • NSC 18602
  • 1-Chloro-3-vinylbenzene

Reactions

Work with 3-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

3-Fluorostyrene350-51-656 % similar 3-Bromostyrene2039-86-354 % similar Styrene100-42-550 % similar 1,3-Dichlorobenzene541-73-150 % similar Polystyrene9003-53-650 % similar (3-Vinylphenyl)boronic acid15016-43-048 % similar (2E)-3-(3-Chlorophenyl)-2-propenal56578-37-148 % similar 2-Vinylnaphthalene827-54-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Chlorostyrene1073-67-2 2-Chlorostyrene2039-87-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook