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

CAS 1226890-61-4Formula C8H4F8N2O2MW 312.12PubChem 86660092

A fluorinated pyrazole derivative, 1-methyl-3-(pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid, is a research chemical featuring a pyrazole core with multiple fluorine substitutions and a carboxylic acid group. It is primarily intended for research and development applications.

Loading RDKit molecule structure...
InChIKey: NQACFNIHDULWSY-UHFFFAOYSA-NC8H4F8N2O2 | MW 312.12

Chemical Identity

Molecular Formula

C8H4F8N2O2

Molecular Weight

312.12 g/mol

Exact Mass

312.014503

PubChem CID

86660092

IUPAC Name

1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxylic acid

SMILES String

Cn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1C(=O)O

Names & Synonyms

1-METHYL-3-(PERFLUOROETHYL)-4-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-3-carboxylic acid1-methyl-3-pentafluoroethyl-4-trifluoromethyl-1H-pyrazole-5-carboxylic acid1-METHYL-3-(PERFLUOROETHYL)-4-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXYLICACID
External Identifiers
MFCD30531090SCHEMBL2362708BZB89061EN300-640678

Catalog Overview

1-methyl-3-(pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid is an organic compound characterized by a 1H-pyrazole ring substituted with a methyl group at position 1, a pentafluoroethyl group at position 3, a trifluoromethyl group at position 4, and a carboxylic acid group at position 5. Its highly fluorinated nature and heterocyclic core make it a compound of interest in medicinal chemistry and materials science research.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white crystalline solid

Physical State

solid

Melting Point

115.0 °C

Boiling Point

280.0 °C

Density

1.7 g/cm³

Water Solubility

sparingly soluble

Flash Point

200.0 °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 1-methyl-3-(pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.

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