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CAS 17139-64-9

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4-(Trifluoromethyl)-1,3-benzenediamine

Description:
4-(Trifluoromethyl)-1,3-benzenediamine, also known by its CAS number 17139-64-9, is an organic compound characterized by the presence of a trifluoromethyl group (-CF3) and two amino groups (-NH2) attached to a benzene ring. This compound typically exhibits a solid state at room temperature and is known for its potential applications in various fields, including pharmaceuticals and agrochemicals. The trifluoromethyl group enhances the lipophilicity and metabolic stability of the molecule, which can influence its biological activity. The amino groups can participate in hydrogen bonding and may affect the compound's solubility and reactivity. Additionally, the presence of fluorine atoms often imparts unique electronic properties, making such compounds of interest in medicinal chemistry. Safety data indicates that, like many amines, it should be handled with care due to potential toxicity and reactivity. Overall, 4-(Trifluoromethyl)-1,3-benzenediamine is a valuable compound in synthetic organic chemistry, with diverse applications stemming from its structural characteristics.
Formula:C7H7F3N2
InChI:InChI=1S/C7H7F3N2/c8-7(9,10)5-2-1-4(11)3-6(5)12/h1-3H,11-12H2
InChI key:InChIKey=ZCTYGKMXWWDBCB-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(N)C=C(N)C=C1
Synonyms:
  • 2,4-Diaminobenzotrifluoride
  • 4-(Trifluoromethyl)-1,3-benzenediamine
  • Toluene-2,4-diamine, α,α,α-trifluoro-
  • 1,3-Benzenediamine, 4-(trifluoromethyl)-
  • 1,3-Diamino-4-(trifluoromethyl)benzene
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