chempirical

4-Chlorobutyronitrile

C4H6ClNCAS 628-20-6103.55 g/mol

Open in Covalent MOL file
NCl
Alkyl halideNitrile

Properties

Molecular formula
C4H6ClN
Molar mass
103.55 g/mol
Exact mass
103.0189 Da
Density
1.0791–1.0792 g/mL (at 30 °C)
Boiling point
192 °C
logP
1.53Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 101 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
628-20-6
SMILES
N#CCCCCl
InChIKey
ZFCFBWSVQWGOJJ-UHFFFAOYSA-N
InChI
InChI=1S/C4H6ClN/c5-3-1-2-4-6/h1-3H2

Weigh it out

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

Names and synonyms

5 names
  • Butanenitrile, 4-chloro-
  • Butyronitrile, 4-chloro-
  • 4-Chlorobutanenitrile
  • γ-Chlorobutyronitrile
  • NSC 8410

Reactions

Work with 4-Chlorobutyronitrile

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

5-Chloropentanenitrile6280-87-183 % similar 7-Chloroheptanenitrile22819-91-679 % similar 3-Chloropropionitrile542-76-767 % similar Adiponitrile111-69-359 % similar Dodecanedinitrile4543-66-256 % similar Octanedinitrile629-40-356 % similar Pimelonitrile646-20-856 % similar Succinonitrile110-61-247 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia