CAS 84547-96-6

4-Chloro-1-methyl-3,5-dinitro-1H-pyrazole

Description:

4-Chloro-1-methyl-3,5-dinitro-1H-pyrazole is a chemical compound characterized by its pyrazole ring structure, which is a five-membered heterocyclic compound containing two nitrogen atoms. This particular compound features a chlorine atom at the 4-position and two nitro groups at the 3 and 5 positions, contributing to its reactivity and potential applications. It is typically a solid at room temperature and may exhibit a yellow to orange color. The presence of nitro groups enhances its explosive properties, making it of interest in the field of energetic materials. Additionally, the chlorine substituent can influence its solubility and stability in various solvents. This compound is often studied for its potential use in agricultural applications, particularly as a herbicide, due to its ability to inhibit specific biochemical pathways in plants. However, safety precautions are necessary when handling this substance, as it may pose health risks and environmental concerns. Proper storage and disposal methods should be followed to mitigate any hazards associated with its use.

Formula: C₄H₃ClN₄O₄

InChI: InChI=1S/C4H3ClN4O4/c1-7-4(9(12)13)2(5)3(6-7)8(10)11/h1H3

InChI key: InChIKey=VKCXIULUEMQTNL-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C(Cl)C(N(=O)=O)=NN1C

Synonyms:

• 1H-Pyrazole, 4-chloro-1-methyl-3,5-dinitro-
• 4-Chloro-1-methyl-3,5-dinitro-1H-pyrazole

4-Chloro-1-methyl-3,5-dinitro-1H-pyrazole

CAS: 84547-96-6

Versatile small molecule scaffold

Formula: C₄H₃ClN₄O₄

Purity: Min. 95%

Molecular weight: 206.54 g/mol

Ref: 3D-JDA54796