Malononitrile
Properties
- Molecular formula
- C3H2N2
- Molar mass
- 66.06 g/mol
- Exact mass
- 66.0218 Da
- Density
- 1.191 g/mL (at 20 °C)
- Melting point
- 32 °C
- Boiling point
- 218–219 °C
- pKa
- 11.4
- Water solubility
- 133 g/L (20 °C)
- logP
- 0.42Crippen estimate
- Polar surface area
- 47.6 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowedAcute toxicity, oral
- H311 Toxic in contact with skinAcute toxicity, dermal
- H331 Toxic if inhaledAcute toxicity, inhalation
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI), via PubChem.
Precautionary statements
P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
109-77-3SMILES
N#CCC#NInChIKey
CUONGYYJJVDODC-UHFFFAOYSA-NInChI
InChI=1S/C3H2N2/c4-2-1-3-5/h1H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Propanedinitrile
- Methane, dicyano-
- Dicyanomethane
- Malonic acid dinitrile
- Malonodinitrile
- Methylene cyanide
- Cyanoacetonitrile
- Methylenedinitrile
- NSC 3769
- Malondinitrile
Reactions
Work with Malononitrile
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
Succinonitrile110-61-250 % similar
Adiponitrile111-69-343 % similar
Propionitrile107-12-040 % similar
Chloroacetonitrile107-14-240 % similar
Glycolonitrile107-16-440 % similar
3-Hexenedinitrile1119-85-340 % similar
Dodecanedinitrile4543-66-240 % similar
Fluoroacetonitrile503-20-840 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds