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CAS 1309602-03-6

:

Benzonitrile, 2-chloro-3,5-bis(trifluoromethyl)-

Description:
Benzonitrile, 2-chloro-3,5-bis(trifluoromethyl)-, also known by its CAS number 1309602-03-6, is an aromatic nitrile compound characterized by the presence of a benzonitrile core with two trifluoromethyl groups and a chlorine substituent. This compound typically exhibits a colorless to pale yellow appearance and is known for its volatility and low solubility in water, making it more soluble in organic solvents. The presence of trifluoromethyl groups imparts significant electronegativity, influencing its reactivity and making it a useful intermediate in various chemical syntheses, particularly in the pharmaceutical and agrochemical industries. The chlorine atom contributes to its electrophilic character, enhancing its potential as a building block in organic synthesis. Additionally, due to the presence of the nitrile functional group, it may exhibit polar characteristics, affecting its interactions with other molecules. Safety data should be consulted for handling, as halogenated compounds can pose environmental and health risks.
Formula:C9H2ClF6N
InChI:InChI=1S/C9H2ClF6N/c10-7-4(3-17)1-5(8(11,12)13)2-6(7)9(14,15)16/h1-2H
InChI key:InChIKey=VQLZELVAXQLLQK-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=CC(C(F)(F)F)=CC(C#N)=C1Cl
Synonyms:
  • Benzonitrile, 2-chloro-3,5-bis(trifluoromethyl)-
  • 2-Chloro-3,5-bis(trifluoromethyl)benzonitrile
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