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CAS 401-93-4

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3-Chloro-5-nitrobenzotrifluoride

Description:
3-Chloro-5-nitrobenzotrifluoride, with the CAS number 401-93-4, is an aromatic compound characterized by the presence of a chloro group, a nitro group, and three fluorine atoms attached to a benzene ring. This compound typically appears as a pale yellow to light brown liquid or solid, depending on the temperature and purity. It is known for its relatively high stability and low volatility, making it suitable for various applications in organic synthesis and as an intermediate in the production of agrochemicals and pharmaceuticals. The presence of both electron-withdrawing groups (the nitro and trifluoromethyl groups) influences its reactivity, often making it a good candidate for electrophilic substitution reactions. Additionally, 3-Chloro-5-nitrobenzotrifluoride is considered to have moderate toxicity, necessitating appropriate safety measures during handling and use. Its solubility in organic solvents and limited solubility in water further define its chemical behavior in different environments.
Formula:C7H5F3N2O2
InChI:InChI=1/C7H5F3N2O2/c8-7(9,10)4-1-5(11)3-6(2-4)12(13)14/h1-3H,11H2
SMILES:c1c(cc(cc1N)N(=O)=O)C(F)(F)F
Synonyms:
  • 1-Chloro-3-Nitro-5-(Trifluoromethyl)Benzene
  • 3-Nitro-5-(Trifluoromethyl)Aniline
  • 5-Chloro-3-nitrobenzotrifluoride
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