CAS 1217-44-3

1,2,3,4,5,6-Benzenehexacarbonitrile

Description:

1,2,3,4,5,6-Benzenehexacarbonitrile, also known by its CAS number 1217-44-3, is a polycyclic aromatic compound characterized by the presence of six cyano (–C≡N) groups attached to a benzene ring. This compound is notable for its high degree of functionalization, which significantly influences its chemical properties and reactivity. It typically appears as a solid at room temperature and is insoluble in water, but may dissolve in organic solvents. The presence of multiple cyano groups contributes to its potential applications in materials science, particularly in the synthesis of polymers and as a precursor for various chemical reactions. Additionally, the cyano groups can impart unique electronic properties, making it of interest in the field of organic electronics. However, due to the toxicity associated with cyanide compounds, handling and disposal of benzenehexacarbonitrile must be conducted with caution, adhering to safety regulations. Overall, this compound exemplifies the intricate relationship between molecular structure and chemical behavior in organic chemistry.

Formula: C₁₂N₆

InChI: InChI=1S/C12N6/c13-1-7-8(2-14)10(4-16)12(6-18)11(5-17)9(7)3-15

InChI key: InChIKey=YLDBWNXELVQOFK-UHFFFAOYSA-N

SMILES: C(#N)C1=C(C#N)C(C#N)=C(C#N)C(C#N)=C1C#N

Synonyms:

• Benzenehexanitrile
• 1,2,3,4,5,6-Hexacyanobenzene
• 1,2,3,4,5,6-Benzenehexacarbonitrile
• Benzenehexacarbonitrile
• Hexacyanobenzene

1,2,3,4,5,6-Benzenehexacarbonitrile

CAS: 1217-44-3

Formula: C₁₂N₆

Molecular weight: 228.1686

Ref: IN-DA0015LJ