CAS 1001567-69-6

4-Methyl-1H-pyrazole-1-acetyl chloride

Description:

4-Methyl-1H-pyrazole-1-acetyl chloride is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two adjacent nitrogen atoms. This compound features an acetyl chloride functional group, making it a reactive acyl chloride derivative. It is typically a colorless to pale yellow liquid with a pungent odor, indicative of its reactivity. The presence of the acetyl chloride group suggests that it can undergo nucleophilic acyl substitution reactions, making it useful in organic synthesis, particularly in the preparation of various derivatives and intermediates. The compound is soluble in organic solvents, but it is generally not stable in the presence of water, as it can hydrolyze to form acetic acid and 4-methyl-1H-pyrazole. Safety precautions are necessary when handling this substance due to its corrosive nature and potential to cause irritation upon contact with skin or mucous membranes. Proper storage in a cool, dry place away from moisture is recommended to maintain its stability.

Formula: C₆H₇ClN₂O

InChI: InChI=1S/C6H7ClN2O/c1-5-2-8-9(3-5)4-6(7)10/h2-3H,4H2,1H3

InChI key: InChIKey=XASXHDAAACLBJJ-UHFFFAOYSA-N

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

Synonyms:

• 1H-Pyrazole-1-acetyl chloride, 4-methyl-
• 4-Methyl-1H-pyrazole-1-acetyl chloride
• (4-Methyl-1H-pyrazol-1-yl)acetyl chloride