chempirical

2,6-Dichlorostyrene

C8H6Cl2CAS 28469-92-3173.04 g/mol

Open in Covalent MOL file
ClCl
AlkeneAryl halide

Properties

Molecular formula
C8H6Cl2
Molar mass
173.04 g/mol
Exact mass
171.9847 Da
Density
1.28 g/mL (at 25 °C)
Melting point
89 °C
Boiling point
57–60 °C (at 3 Torr)
logP
3.64Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
28469-92-3
SMILES
C=Cc1c(Cl)cccc1Cl
InChIKey
YJCVRMIJBXTMNR-UHFFFAOYSA-N
InChI
InChI=1S/C8H6Cl2/c1-2-6-7(9)4-3-5-8(6)10/h2-5H,1H2

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 1,3-dichloro-2-ethenyl-
  • Styrene, 2,6-dichloro-
  • 1,3-Dichloro-2-ethenylbenzene
  • 1,3-Dichloro-2-vinylbenzene
  • NSC 89716

Work with 2,6-Dichlorostyrene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chlorostyrene2039-87-458 % similar 2,6-Dichlorobenzaldehyde83-38-550 % similar 1,2-Dichlorobenzene95-50-145 % similar 2-Chloro-6-methylbenzaldehyde1194-64-545 % similar 9-Vinylanthracene2444-68-044 % similar 2,6-Dichlorobenzaldehyde oxime25185-95-944 % similar 1,2,3-Trichlorobenzene87-61-641 % similar 2-Chloro-6-fluorobenzaldehyde387-45-140 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook