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CAS 708-46-3

:

4,5-Pyrimidinediamine, 2-chloro-6-(trifluoromethyl)-

Description:
4,5-Pyrimidinediamine, 2-chloro-6-(trifluoromethyl)-, with the CAS number 708-46-3, is a chemical compound characterized by its pyrimidine ring structure, which is a six-membered aromatic heterocycle containing two nitrogen atoms at the 4 and 5 positions. This compound features a chloro group at the 2 position and a trifluoromethyl group at the 6 position, which significantly influences its chemical reactivity and physical properties. It is typically a solid at room temperature and may exhibit moderate solubility in polar solvents. The presence of the trifluoromethyl group enhances its lipophilicity and can affect its biological activity, making it of interest in pharmaceutical research. Additionally, the compound may exhibit properties such as being a potential intermediate in the synthesis of various agrochemicals or pharmaceuticals. Safety data should be consulted for handling, as halogenated compounds can pose environmental and health risks. Overall, this compound's unique structure and substituents make it a subject of interest in organic chemistry and medicinal applications.
Formula:C5H4ClF3N4
InChI:InChI=1S/C5H4ClF3N4/c6-4-12-2(5(7,8)9)1(10)3(11)13-4/h10H2,(H2,11,12,13)
InChI key:InChIKey=VKQHUGOEOGTPAI-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C=1C(N)=C(N)N=C(Cl)N1
Synonyms:
  • 2-Chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine
  • 2-Chloro-6-trifluoromethyl-pyrimidine-4,5-diamine
  • NSC 57026
  • Pyrimidine, 4,5-diamino-2-chloro-6-(trifluoromethyl)-
  • 4,5-Pyrimidinediamine, 2-chloro-6-(trifluoromethyl)-
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