Butyronitrile

C4H7NCAS 109-74-069.11 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C4H7N
Molar mass
69.11 g/mol
Exact mass
69.0578 Da
Density
0.8091 g/mL (at 0 °C)
Melting point
−112 °C
Boiling point
117.5 °C
Flash point
17 °C (open cup)
Water solubility
33 g/L (25 °C)
logP
1.31Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Acute Toxic (GHS06)

Harmonised EU classification (CLP Annex VI, index 608-005-00-5), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P321, P330, P361+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
109-74-0
SMILES
CCCC#N
InChIKey
KVNRLNFWIYMESJ-UHFFFAOYSA-N
InChI
InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3

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

Names and synonyms

7 names
  • Butanenitrile
  • Propyl cyanide
  • n-Butyronitrile
  • 1-Cyanopropane
  • n-Butanenitrile
  • γ-Butyronitrile
  • NSC 8412

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 109-74-0. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with Butyronitrile

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

Pentanenitrile110-59-867 % similar Hexanenitrile628-73-963 % similar Octanenitrile124-12-960 % similar Decanenitrile1975-78-660 % similar Nonanenitrile2243-27-860 % similar Undecanenitrile2244-07-760 % similar Dodecanenitrile2437-25-460 % similar Heptanenitrile629-08-360 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Pyrroline109-96-6 Isobutyronitrile78-82-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia