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CAS 622-75-3

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1,4-Benzenediacetonitrile

Description:
1,4-Benzenediacetonitrile, also known as p-Benzenedicarbonitrile, is an organic compound characterized by its two cyano groups (-C≡N) attached to a benzene ring at the 1 and 4 positions. This compound has a molecular formula of C10H8N2 and features a relatively high melting point and boiling point, indicative of its solid state at room temperature. It is typically a white to light yellow crystalline solid that is sparingly soluble in water but more soluble in organic solvents such as ethanol and acetone. The presence of the cyano groups imparts significant polarity and reactivity, making it useful in various chemical syntheses and applications, including as a building block in organic synthesis and in the production of pharmaceuticals and agrochemicals. Additionally, 1,4-Benzenediacetonitrile can exhibit toxicity, necessitating careful handling and appropriate safety measures during use. Its chemical properties allow it to participate in nucleophilic reactions, making it a versatile intermediate in organic chemistry.
Formula:C10H8N2
InChI:InChI=1S/C10H8N2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h1-4H,5-6H2
InChI key:InChIKey=FUQCKESKNZBNOG-UHFFFAOYSA-N
SMILES:C(C#N)C1=CC=C(CC#N)C=C1
Synonyms:
  • 1,4-Benzenediacetonitrile
  • 1,4-Bis(cyanomethyl)benzene
  • 1,4-Di(cyanomethyl)benzene
  • 1,4-Phenyldiacetonitrile
  • 1,4-Phenylenediacetonitrile
  • 2,2′-(1,4-Phenylene) diacetonitrile
  • 2-[4-(Cyanomethyl)phenyl]acetonitrile
  • 4-Cyanomethylphenylacetonitrile
  • 7,8-Dicyano-p-xylene
  • NSC 513731
  • See more synonyms
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