Isobutyronitrile

C4H7NCAS 78-82-069.11 g/mol

N
Nitrile

Properties

Molecular formula
C4H7N
Molar mass
69.11 g/mol
Exact mass
69.0578 Da
Density
0.7704 g/mL (at 20 °C)
Melting point
−71.5 °C
Boiling point
103.9 °C
Flash point
8 °C (closed cup)
Water solubility
soluble
logP
1.17Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 210 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
78-82-0
SMILES
CC(C)C#N
InChIKey
LRDFRRGEGBBSRN-UHFFFAOYSA-N
InChI
InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3

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

Names and synonyms

12 names
  • Propanenitrile, 2-methyl-
  • 2-Methylpropanenitrile
  • Isopropyl cyanide
  • 2-Methylpropionitrile
  • 2-Cyanopropane
  • Isopropyl nitrile
  • 1-Cyano-1-methylethane
  • Dimethylacetonitrile
  • α-Methylpropanenitrile
  • α-Methylpropionitrile
  • Isobutanenitrile
  • NSC 60536

Reactions

Work with Isobutyronitrile

Similar compounds

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

Same formula

Elsewhere