chempirical

Iodoacetonitrile

C2H2INCAS 624-75-9166.95 g/mol

Open in Covalent MOL file
NI
Alkyl halideNitrile

Properties

Molecular formula
C2H2IN
Molar mass
166.95 g/mol
Exact mass
166.9232 Da
Boiling point
185 °C
logP
0.94Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
624-75-9
SMILES
N#CCI
InChIKey
VODKOOOHHCAWFR-UHFFFAOYSA-N
InChI
InChI=1S/C2H2IN/c3-1-2-4/h1H2

Weigh it out

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

Names and synonyms

7 names
  • Acetonitrile, iodo-
  • Cyanoiodomethane
  • Cyanomethyl iodide
  • Iodomethyl cyanide
  • NSC 81208
  • 1-Iodoacetonitrile
  • 2-Iodoacetonitrile

Work with Iodoacetonitrile

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

Malononitrile109-77-340 % similar Succinonitrile110-61-240 % similar Adiponitrile111-69-335 % similar Propionitrile107-12-033 % similar Chloroacetonitrile107-14-233 % similar Glycolonitrile107-16-433 % similar 3-Hexenedinitrile1119-85-333 % similar Dodecanedinitrile4543-66-233 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook