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CAS 898746-96-8

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4-Bromo-1H-indazole-6-carbonitrile

Description:
4-Bromo-1H-indazole-6-carbonitrile is a chemical compound characterized by its indazole core, which is a five-membered heterocyclic structure containing two nitrogen atoms. The presence of a bromine atom at the 4-position and a cyano group (-C≡N) at the 6-position contributes to its unique reactivity and properties. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. It is often used in medicinal chemistry and research due to its potential biological activity, particularly in the development of pharmaceuticals. The cyano group can participate in various chemical reactions, making it a versatile intermediate in organic synthesis. Additionally, the bromine substituent can facilitate further functionalization, allowing for the exploration of structure-activity relationships in drug design. Safety data should be consulted, as halogenated compounds can pose health risks, and appropriate handling procedures should be followed in laboratory settings.
Formula:C8H4BrN3
InChI:InChI=1S/C8H4BrN3/c9-7-1-5(3-10)2-8-6(7)4-11-12-8/h1-2,4H,(H,11,12)
InChI key:InChIKey=MECMIAFNEMHEPY-UHFFFAOYSA-N
SMILES:BrC1=C2C(=CC(C#N)=C1)NN=C2
Synonyms:
  • 1H-Indazole-6-carbonitrile, 4-bromo-
  • 4-Bromo-6-cyanoindazole
  • 4-Bromo-1H-indazole-6-carbonitrile
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