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CAS 59301-26-7

:

5-Chloro-3-(3-nitrophenyl)-1H-1,2,4-triazole

Description:
5-Chloro-3-(3-nitrophenyl)-1H-1,2,4-triazole is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features a chlorine atom at the 5-position and a nitrophenyl group at the 3-position, contributing to its unique chemical properties. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents, depending on the specific conditions. The presence of the nitro group suggests potential for reactivity, particularly in electrophilic substitution reactions. This compound may be of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential biological activity. Its CAS number, 59301-26-7, allows for easy identification in chemical databases. As with many nitrogen-containing heterocycles, it may exhibit interesting electronic properties and could be involved in coordination chemistry or serve as a ligand in metal complexes. Safety and handling precautions should be observed, as compounds with halogens and nitro groups can pose health and environmental risks.
Formula:C8H5ClN4O2
InChI:InChI=1S/C8H5ClN4O2/c9-8-10-7(11-12-8)5-2-1-3-6(4-5)13(14)15/h1-4H,(H,10,11,12)
InChI key:InChIKey=AFMRRRJQANGAQH-UHFFFAOYSA-N
SMILES:N(=O)(=O)C=1C=C(C=CC1)C2=NN=C(Cl)N2
Synonyms:
  • 1H-1,2,4-Triazole, 5-chloro-3-(3-nitrophenyl)-
  • 5-Chloro-3-(3-nitrophenyl)-1H-1,2,4-triazole
  • 3-Chloro-5-(3-nitrophenyl)-4H-1,2,4-triazole
  • 1H-1,2,4-Triazole, 3-chloro-5-(3-nitrophenyl)-
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