CAS 113100-62-2

3-Methyl-1-(1-methylethyl)-1H-pyrazole-4-carbonyl chloride

Description:

3-Methyl-1-(1-methylethyl)-1H-pyrazole-4-carbonyl chloride, with the CAS number 113100-62-2, is a chemical compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. This compound features a carbonyl chloride functional group, indicating the presence of a carbon atom double-bonded to an oxygen atom and single-bonded to a chlorine atom. The presence of the methyl and isopropyl substituents on the pyrazole ring contributes to its unique reactivity and physical properties. Typically, compounds like this may exhibit moderate to high reactivity due to the electrophilic nature of the carbonyl chloride group, making them useful in various synthetic applications, particularly in organic synthesis and medicinal chemistry. Additionally, the compound's solubility and stability can vary depending on the solvent and environmental conditions. Safety precautions are essential when handling this compound, as carbonyl chlorides can be hazardous due to their potential to release toxic gases upon hydrolysis.

Formula: C₈H₁₁ClN₂O

InChI: InChI=1S/C8H11ClN2O/c1-5(2)11-4-7(8(9)12)6(3)10-11/h4-5H,1-3H3

InChI key: InChIKey=IOHWFEIKEHDXAQ-UHFFFAOYSA-N

SMILES: C(C)(C)N1C=C(C(Cl)=O)C(C)=N1

Synonyms:

• 1H-Pyrazole-4-carbonyl chloride, 3-methyl-1-(1-methylethyl)-
• 1-Isopropyl-3-methyl-1H-pyrazole-4-carbonyl chloride
• 3-Methyl-1-(1-methylethyl)-1H-pyrazole-4-carbonyl chloride
• 3-Methyl-1-propan-2-ylpyrazole-4-carbonyl chloride