5-Chloropentanenitrile

C5H8ClNCAS 6280-87-1117.58 g/mol

Open in Covalent MOL file
NCl
Alkyl halideNitrile

Properties

Molecular formula
C5H8ClN
Molar mass
117.58 g/mol
Exact mass
117.0345 Da
Density
1.061 g/mL (at 25 °C)
Boiling point
101–102 °C (at NaN Torr)
logP
1.92Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
6280-87-1
SMILES
N#CCCCCCl
InChIKey
JSAWFGSXRPCFSW-UHFFFAOYSA-N
InChI
InChI=1S/C5H8ClN/c6-4-2-1-3-5-7/h1-4H2

Weigh it out

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

Names and synonyms

7 names
  • Pentanenitrile, 5-chloro-
  • Valeronitrile, 5-chloro-
  • δ-Chlorovaleronitrile
  • 5-Chlorovaleronitrile
  • 1-Chloro-4-cyanobutane
  • 4-Chloro-1-cyanobutane
  • NSC 6156

Work with 5-Chloropentanenitrile

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

7-Chloroheptanenitrile22819-91-694 % similar 4-Chlorobutyronitrile628-20-683 % similar Adiponitrile111-69-365 % similar 3-Chloropropionitrile542-76-763 % similar Nonanedinitrile1675-69-061 % similar Sebaconitrile1871-96-161 % similar Dodecanedinitrile4543-66-261 % similar Octanedinitrile629-40-361 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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