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3-chloro-5-methyl-4-nitropyrazole

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Identification
Molecular formula
C4H4ClN3O2
CAS number
69739-07-1
IUPAC name
3-chloro-5-methyl-4-nitro-1H-pyrazole
State
State

At room temperature, 3-chloro-5-methyl-4-nitropyrazole is in a solid state, appearing as yellow crystalline powder. It is not very volatile and remains stable under normal conditions.

Melting point (Celsius)
174.00
Melting point (Kelvin)
447.00
Boiling point (Celsius)
385.40
Boiling point (Kelvin)
658.60
General information
Molecular weight
161.54g/mol
Molar mass
161.5300g/mol
Density
1.4610g/cm3
Appearence

3-Chloro-5-methyl-4-nitropyrazole is a yellow crystalline solid. It appears as fine, powdery crystals and is generally used in chemical research and intermediates for pharmaceuticals.

Comment on solubility

Solubility of 3-chloro-5-methyl-4-nitro-1H-pyrazole

3-chloro-5-methyl-4-nitro-1H-pyrazole, with the chemical formula C5H5ClN2O2, exhibits notable solubility characteristics that warrant discussion. This compound, primarily known for its functional groups and structure, demonstrates:

  • Moderate solubility in polar solvents: The nitro group (-NO2) enhances the molecule's polarity, allowing it to dissolve appreciably in solvent systems such as water and alcohols.
  • Limited solubility in non-polar solvents: Due to the presence of the chloro and nitro substituents, 3-chloro-5-methyl-4-nitro-1H-pyrazole tends to be less soluble in non-polar organic solvents such as hexane or toluene.
  • Temperature dependency: Like many organic compounds, its solubility may increase with temperature, making it worthwhile to consider temperature variations in experimental setups.

Understanding the solubility of 3-chloro-5-methyl-4-nitro-1H-pyrazole is crucial for its applications in various chemical processes, as solubility can influence reaction rates, product yields, and methods of purification. In summary, one might say that the solubility traits of this compound are reflective of its complex molecular interactions, demonstrating how structure dictates behavior in the realm of solubility.

Interesting facts

Interesting Facts about 3-chloro-5-methyl-4-nitro-1H-pyrazole

3-chloro-5-methyl-4-nitro-1H-pyrazole is a fascinating compound that belongs to the family of pyrazoles, which are known for their diverse applications in medicinal chemistry and agrochemicals. Here are some intriguing aspects of this compound:

  • Synthesis: The synthesis of 3-chloro-5-methyl-4-nitro-1H-pyrazole typically involves a multi-step reaction process that highlights the versatility of pyrazole chemistry. Synthetic routes often include the introduction of the nitro and chloro groups at specific positions, showcasing the compound's synthetic accessibility.
  • Biological Activity: Compounds containing pyrazole moieties have been extensively studied for various biological activities. They may exhibit anti-inflammatory, analgesic, and even anti-cancer properties, making them a subject of interest in pharmaceutical research.
  • Application in Agrochemicals: This compound can also play a role in the development of herbicides and pesticides. Pyrazole derivatives are known to act as effective agents in controlling weeds and pests, thus enhancing agricultural productivity.
  • Research Interest: Scientists are intrigued by the electronic and steric effects that the substituents (like chlorine and nitro groups) have on the pyrazole ring. These interactions can significantly influence the reactivity and properties of the compound, prompting ongoing research in material science and chemistry.
  • Structure-Activity Relationship (SAR): Understanding how modifications to the structure of pyrazole compounds affect their biological activity is critical. The unique structure of 3-chloro-5-methyl-4-nitro-1H-pyrazole provides a valuable framework for exploring SAR and developing new therapeutic agents.

In conclusion, 3-chloro-5-methyl-4-nitro-1H-pyrazole serves as a noteworthy example of the potential that pyrazole derivatives hold in the realms of both medicinal and agricultural chemistry. Its unique structure invites further exploration and experimentation, revealing layers of complexity and utility.

Synonyms
5-CHLORO-3-METHYL-4-NITRO-1H-PYRAZOLE
6814-58-0
Pyrazachlor
3-Chloro-5-methyl-4-nitro-1H-pyrazole
1H-PYRAZOLE, 3-CHLORO-5-METHYL-4-NITRO-
ABG 3030
Caswell No. 196A
CMN pyrazole
5-Chloro-3-methyl-4-nitropyrazole
EPA Pesticide Chemical Code 207100
BRN 0005657
N8UW78C99U
Pyrazole, 3(or 5)-chloro-5(or 3)-methyl-4-nitro-
DTXSID3058454
4-23-00-00591 (Beilstein Handbook Reference)
CHLORO-3-METHYL-4-NITRO-1H-PYRAZOLE, 5-
DTXCID2032213
639-814-1
CMNP
MFCD00462202
UNII-N8UW78C99U
3(or 5)-Chloro-5(or 3)-methyl-4-nitropyrazole
SCHEMBL2549734
SCHEMBL13866122
STL300009
AKOS005266810
AKOS013433806
AKOS034830301
GS-5686
PB15692
FC146904
SY042202
CS-0050522
EN300-113594
Q27284715