Acetonitrile
Properties
- Molecular formula
- C2H3N
- Molar mass
- 41.05 g/mol
- Exact mass
- 41.0265 Da
- Density
- 0.7875 g/mL (at 15 °C)
- Melting point
- −45 °C
- Boiling point
- 81.6 °C
- pKa
- -4.3 (conjugate acid)
- Flash point
- 2 °C (closed cup)
- Water solubility
- miscible
- logP
- 0.53Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vaporFlammable liquids
- H302 Harmful if swallowedAcute toxicity, oral
- H312 Harmful in contact with skinAcute toxicity, dermal
- H319 Causes serious eye irritationSerious eye damage/eye irritation
- H332 Harmful if inhaledAcute toxicity, inhalation
Harmonised EU classification (CLP Annex VI, index 608-001-00-3), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, P370+P378, P403+P235, P501
Identifiers
CAS number
75-05-8SMILES
CC#NInChIKey
WEVYAHXRMPXWCK-UHFFFAOYSA-NInChI
InChI=1S/C2H3N/c1-2-3/h1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Cyanomethane
- Ethanenitrile
- Ethyl nitrile
- Methane, cyano-
- Methanecarbonitrile
- Methyl cyanide
- Methyl cyanide (MeCN)
- Acetonitrile cluster
- NSC 7593
- ACN
Reactions
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 75-05-8. Each row opens the sheet with its composition and PDF.
Work with Acetonitrile
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue.