chempirical

Cs gas

C10H5ClN2CAS 2698-41-1188.61 g/mol

Open in Covalent MOL file
NNCl
AlkeneAryl halideNitrile

Properties

Molecular formula
C10H5ClN2
Molar mass
188.61 g/mol
Exact mass
188.0141 Da
Melting point
95–96 °C
Boiling point
310–315 °C
logP
2.77Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
2698-41-1
SMILES
N#CC(C#N)=Cc1ccccc1Cl
InChIKey
JJNZXLAFIPKXIG-UHFFFAOYSA-N
InChI
InChI=1S/C10H5ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H

Weigh it out

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

Names and synonyms

22 names · show all
  • Propanedinitrile, 2-[(2-chlorophenyl)methylene]-
  • Malononitrile, (o-chlorobenzylidene)-
  • Propanedinitrile, [(2-chlorophenyl)methylene]-
  • 2-[(2-Chlorophenyl)methylene]propanedinitrile
  • 2-Chlorobenzylidenemalononitrile
  • β,β-Dicyano-o-chlorostyrene
  • 2-Chlorobenzalmalononitrile
  • (o-Chlorobenzal)malononitrile
  • (o-Chlorobenzylidene)malononitrile
  • CS (lacrimator)
  • o-Chlorobenzylidenemalonic nitrile
  • CS
  • CS(lacrimitor)
  • 2-(o-Chlorophenyl)-1,1-dicyanoethylene
  • 2-Chlorobenzylidenemalonodinitrile
  • NSC 542
  • NSC 637336
  • 1-Chloro-2-(2,2-dicyanoethenyl)benzene
  • 2-[(2-Chlorophenyl)methylene]malononitrile
  • 2-(2-Chlorobenzylidene)malononitrile
  • [(2-Chlorophenyl)methylene]malononitrile
  • 2-[(2-Chlorophenyl)methylidene]propanedinitrile

Work with Cs gas

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

Benzylidenemalononitrile2700-22-350 % similar 2-Chlorostyrene2039-87-445 % similar 2-Chlorobenzaldehyde89-98-545 % similar 2,3-Dichlorobenzonitrile6574-97-642 % similar 2-Chlorobenzaldehyde oxime3717-28-041 % similar Tyrphostin 23118409-57-741 % similar 1-Chloro-2-[(1Z)-3-chloro-2-(4-fluorophenyl)-1-propen-1-yl]benzene133001-05-540 % similar 4-Hydroxybenzylidenemalononitrile3785-90-840 % similar

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

Elsewhere

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