CAS 885520-89-8

3-Chloro-6-methyl-4-nitro-1H-indazole

Description:

3-Chloro-6-methyl-4-nitro-1H-indazole is a chemical compound characterized by its indazole core, which is a bicyclic structure containing a five-membered ring fused to a six-membered ring. The presence of a chlorine atom at the 3-position, a methyl group at the 6-position, and a nitro group at the 4-position contributes to its unique chemical properties. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its functional groups suggest potential reactivity, particularly in electrophilic substitution reactions due to the electron-withdrawing nature of the nitro group and the electron-donating effect of the methyl group. The chlorine substituent can also influence the compound's reactivity and stability. 3-Chloro-6-methyl-4-nitro-1H-indazole may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural features that can interact with biological targets. As with many nitro compounds, it may also require careful handling due to potential toxicity and environmental considerations.

Formula: C₈H₆ClN₃O₂

InChI: InChI=1S/C8H6ClN3O2/c1-4-2-5-7(8(9)11-10-5)6(3-4)12(13)14/h2-3H,1H3,(H,10,11)

InChI key: InChIKey=KBUBAZJPPMHCBY-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C2C(NN=C2Cl)=CC(C)=C1

Synonyms:

• 1H-Indazole, 3-chloro-6-methyl-4-nitro-
• 3-Chloro-6-methyl-4-nitro-1H-indazole