Description

The 2-cyanomalononitrile sodium salt (CAS No. 36603-80-2) is a high-purity organic sodium salt with the molecular formula C₄N₃Na. Also known as sodium tricyanomethanide, this compound is a versatile reagent widely used in synthetic organic chemistry, particularly in the preparation of heterocyclic compounds and as a precursor for advanced materials. Its IUPAC name is sodium;methanetricarbonitrile, reflecting its tricyano-substituted methanide structure. This product is supplied as a fine powder, ensuring optimal solubility and reactivity for laboratory applications. Suitable for researchers and industrial chemists, it is rigorously tested for purity and stability, making it ideal for nucleophilic addition reactions, polymer synthesis, and coordination chemistry. Store in a cool, dry place under inert conditions to maintain its integrity.

Properties

• CAS Number: 36603-80-2
• Complexity: 155
• IUPAC Name: sodium;methanetricarbonitrile
• InChI: InChI=1S/C4N3.Na/c5-1-4(2-6)3-7;/q-1;+1
• InChI Key: LOYHZHALCDOXIK-UHFFFAOYSA-N
• Exact Mass: 112.99899129
• Molecular Formula: C4N3Na
• Molecular Weight: 113.05
• SMILES: C(#N)[C-](C#N)C#N.[Na+]
• Topological: 71.4
• Monoisotopic Mass: 112.99899129
• Synonyms: 36603-80-2, 2-cyanomalononitrile sodium salt, 682-588-4, sodium tricyanomethanide, Methanetricarbonitrile, ion(1-), sodium, sodium;methanetricarbonitrile, Tricyanomethanide Sodium Salt, Cyanoform-natrium, sodiumtricyanomethanide, Cyanoform-natrium [German], SCHEMBL2410456, NIOSH/PB5700000, SCHEMBL15436267, Methanetricarbonitrile, sodium salt, LBA60380, O0489, PB57000000, D91879

Application

2-cyanomalononitrile sodium salt is widely employed as a key intermediate in the synthesis of nitrogen-rich heterocycles, such as triazoles and tetrazoles, due to its reactive cyano groups. It serves as a precursor for the preparation of high-performance polymers and coordination complexes with transition metals. Researchers also utilize it in the development of energetic materials and pharmaceutical active ingredients.

Safety and Hazards

GHS Hazard Statements

• H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (100%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (100%)

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