Malononitrile (C3H2N2)

Malononitrile (C3H2N2; CAS 109-77-3) is a practical retrosynthesis target. Malononitrile presents a C3 framework, basic nitrogen. Open AI route search in one click below.

Target: Malononitrile
CAS: 109-77-3
Formula: C3H2N2
Approx. MW: 66.06
SMILES: N#CCC#N
PubChem CID: 8010
Approx. carbons: C3

Malononitrile structure

Properties

IUPAC name: propanedinitrile
Common names: MALONONITRILE; Propanedinitrile; 109-77-3; Dicyanomethane; Malonic dinitrile; Methylene cyanide; Cyanoacetonitrile; Malonodinitrile; Dicyanmethane; Malonic acid dinitrile
Molecular weight: 66.06
Exact mass: 66.02
InChIKey: CUONGYYJJVDODC-UHFFFAOYSA-N
Melting point: 90 °F (EPA, 1998)
Boiling point: 424 to 426 °F at 760 mmHg (EPA, 1998)
Density: 1.191 at 68 °F (EPA, 1998) - Denser than water; will sink

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Malononitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Malononitrile?

Malononitrile has molecular formula C3H2N2. Molecular weight about 66.06 g·mol⁻¹.

What is the CAS number of Malononitrile?

The CAS Registry Number for Malononitrile is 109-77-3.

Run AI retrosynthesis for Malononitrile Target catalog AI tools overview

One click loads Malononitrile into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

(2R)-2-hydroxypropanamide 2-Chloroacrylonitrile 2-Chloropropionamide 2-Cyanoacetamide 2-Cyanoethyltrichlorosilane 2-Imidazolidone

Browse the full target catalog

References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.