Propionitrile
Properties
- Molecular formula
- C3H5N
- Molar mass
- 55.08 g/mol
- Exact mass
- 55.0422 Da
- Density
- 0.7818 g/mL (at 20 °C)
- Melting point
- −91.8 °C
- Boiling point
- 97.2 °C
- Flash point
- 2 °C (closed cup)
- Water solubility
- 100 g/L (20 °C)
- logP
- 0.92Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H300+H310 Fatal if swallowed or in contact with skin59.8% of notifiers
- H300 Fatal if swallowed98.9% of notifiers
- H310 Fatal in contact with skin98.3% of notifiers
- H319 Causes serious eye irritation97.7% of notifiers
- H331 Toxic if inhaled60.9% of notifiers
- H332 Harmful if inhaled34.5% of notifiers
- H412 Harmful to aquatic life with long lasting effects59.8% of notifiers
Aggregated from 174 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P321, P330, P337+P317, P361+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
107-12-0SMILES
CCC#NInChIKey
FVSKHRXBFJPNKK-UHFFFAOYSA-NInChI
InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- Propanenitrile
- Cyanoethane
- Ether cyanatus
- Ethyl cyanide
- Hydrocyanic ether
- Propionic nitrile
- Propiononitrile
- Propylnitrile
- n-Propanenitrile
- NSC 7966
- 1-Methylacetonitrile
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 107-12-0. Each row opens the sheet with its composition and PDF.
Work with Propionitrile
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
Butyronitrile109-74-044 % similar
Malononitrile109-77-340 % similar
Pentanenitrile110-59-840 % similar
Succinonitrile110-61-240 % similar
3-Hexyne928-49-440 % similar
2-(Diethylamino)acetonitrile3010-02-438 % similar
Hexanenitrile628-73-938 % similar
Octanenitrile124-12-936 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.