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CAS 402-11-9

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3-Chloro-4-nitrobenzotrifluoride

Description:
3-Chloro-4-nitrobenzotrifluoride, with the CAS number 402-11-9, is an aromatic compound characterized by the presence of a benzene ring substituted with a chlorine atom, a nitro group, and three fluorine atoms. This compound typically appears as a colorless to pale yellow liquid or solid, depending on the temperature. It is known for its relatively high stability and low volatility, making it suitable for various industrial applications, particularly in the synthesis of pharmaceuticals and agrochemicals. The presence of the nitro and trifluoromethyl groups contributes to its reactivity, allowing it to participate in electrophilic aromatic substitution reactions. Additionally, 3-chloro-4-nitrobenzotrifluoride exhibits moderate toxicity and should be handled with care, following appropriate safety protocols. Its solubility in organic solvents and limited solubility in water further define its chemical behavior in different environments. Overall, this compound is significant in organic synthesis and materials science due to its unique structural features and reactivity.
Formula:C7H3ClF3NO2
InChI:InChI=1S/C7H3ClF3NO2/c8-5-3-4(7(9,10)11)1-2-6(5)12(13)14/h1-3H
InChI key:InChIKey=CZWWSPDHNLAYRJ-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=CC(Cl)=C(N(=O)=O)C=C1
Synonyms:
  • 2-Chloro-1-nitro-4-(trifluoromethyl)benzene
  • 2-Chloro-4-(trifluoromethyl)-1-nitrobenzene
  • Benzene, 2-chloro-1-nitro-4-(trifluoromethyl)-
  • Toluene, 3-chloro-4-nitro-α,α,α-trifluoro-
  • 3-Chloro-4-nitrobenzotrifluoride
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