chempirical

Trichloroacetonitrile

C2Cl3NCAS 545-06-2144.38 g/mol

Open in Covalent MOL file
NClClCl
Alkyl halideNitrile

Properties

Molecular formula
C2Cl3N
Molar mass
144.38 g/mol
Exact mass
142.9096 Da
Density
1.44 g/mL (at 25 °C)
Melting point
−42 °C
Boiling point
85.7 °C
logP
1.88Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
545-06-2
SMILES
N#CC(Cl)(Cl)Cl
InChIKey
DRUIESSIVFYOMK-UHFFFAOYSA-N
InChI
InChI=1S/C2Cl3N/c3-2(4,5)1-6

Weigh it out

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

Names and synonyms

9 names
  • Acetonitrile, 2,2,2-trichloro-
  • Acetonitrile, trichloro-
  • 2,2,2-Trichloroacetonitrile
  • Trichloromethyl cyanide
  • Tritox
  • Cyanotrichloromethane
  • Trichlorocyanomethane
  • NSC 66405
  • Cl3CCN

Work with Trichloroacetonitrile

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

2,2-Dichloropropanedinitrile13063-43-950 % similar Trifluoroacetonitrile353-85-533 % similar Pivalonitrile630-18-233 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia