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5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid(CAS: 1204298-65-6)

5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CAS Number

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Basic Information

Molecular Formula
C6H6F2N2O2
Molecular Weight
176.12 g/mol

Chemical Identifiers

SMILES
CN1C(=C(C=N1)C(=O)O)C(F)F
InChIKey
CTTXMUZEFPPHGD-UHFFFAOYSA-N

Database References

MDL Number
MFCD12827721

FAQ

5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid is a crystalline solid with a molecular weight of approximately 213.03 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol and acetonitrile. The compound exhibits moderate acidity and can form hydrogen bonds, making it susceptible to hydrolysis under basic conditions. It is also reactive towards nucleophiles and can undergo electrophilic aromatic substitution reactions.
5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid is typically synthesized through a multi-step process involving the protected pyrazole formation and subsequent deprotection. Common methods include the use of acid chlorides and Grignard reagents. The yield is generally around 70-80%, and the reaction involves the use of anhydrous conditions and appropriate catalysts to enhance selectivity and reaction rate.
5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid is used in pharmaceuticals for the development of novel drug candidates due to its potential biological activity. It also finds applications in the synthesis of polymer precursors and as a building block in the development of sensors and semiconductors. Its unique chemical properties make it suitable for various research and industrial applications.
When handling 5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid, it is essential to use personal protective equipment (PPE) such as gloves and safety goggles. The compound should be stored in a cool, dry place away from direct sunlight. In case of spillage, it should be handled with caution, ensuring the use of a fume hood. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and disposal procedures.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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