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5-Cyano-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid

CAS 2287273-03-2Formula C7H4F3N3O2MW 219.12PubChem 137943490

5-Cyano-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid is a trifluoromethylated pyrazole derivative featuring a cyano group and a carboxylic acid moiety. With a molecular formula of C7H4F3N3O2 and a molecular weight of 219.12, this compound serves as a versatile heterocyclic building block for various research applications.

Loading RDKit molecule structure...
InChIKey: YVOGZEYUHMXRKW-UHFFFAOYSA-NC7H4F3N3O2 | MW 219.12

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

5-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid5-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylicacidZ3482620707
External Identifiers
EN300-6736447

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

Estimated

Estimated / 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

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary 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.

Similar products (text references)

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Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 293399GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.