Chemical Identity
Molecular Formula
C7H4F3N3O2
Molecular Weight
219.12 g/mol
Exact Mass
219.025561
PubChem CID
137943490
SMILES String
Cn1nc(C(F)(F)F)c(C(=O)O)c1C#N
Names & Synonyms
External Identifiers
Catalog Overview
5-Cyano-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid is a synthetic organic compound characterized by its pyrazole core substituted with a methyl group, a trifluoromethyl group, a cyano group, and a carboxylic acid group. This unique combination of functional groups makes it a valuable intermediate in the synthesis of more complex molecules. The trifluoromethyl group often imparts enhanced lipophilicity and metabolic stability, while the cyano and carboxylic acid groups offer diverse handles for further chemical modifications, including amide formation, esterification, or nitrile hydrolysis. It is primarily intended for...
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
5-Cyano-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid is a synthetic organic compound characterized by its pyrazole core substituted with a methyl group, a trifluoromethyl group, a cyano group, and a carboxylic acid group. This unique combination of functional groups makes it a valuable intermediate in the synthesis of more complex molecules. The trifluoromethyl group often imparts enhanced lipophilicity and metabolic stability, while the cyano and carboxylic acid groups offer diverse handles for further chemical modifications, including amide formation, esterification, or nitrile hydrolysis. It is primarily intended for Research Use Only (RUO) as a chemical building block.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white crystalline powder
Physical State
Solid
Melting Point
180.0 °C
Boiling Point
350.0 °C
Density
1.5 g/cm³
Water Solubility
Slightly soluble
Flash Point
220.0 °C
Applications / Classifications
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary safety-style information for reference only. Not a supplier SDS.
Handling and Storage
- Handle 5-Cyano-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid in a well-ventilated area, preferably under a fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat, to prevent skin and eye contact. Avoid inhalation of dust or vapors. In case of contact, wash thoroughly with soap and water. Store in a cool, dry place, away from incompatible materials. This product is for Research Use Only and not for human or therapeutic use.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Related products and analog discovery will be available as catalog graph data is expanded.