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1-Methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxylic acid

CAS 158712-29-9Formula C13H8F6N2O3MW 354.2PubChem 2775696

This is a fluorinated pyrazole derivative featuring two trifluoromethyl groups and a carboxylic acid moiety. It is primarily intended for research and development applications.

Loading RDKit molecule structure...
InChIKey: VGTGQSZJFZSRTL-UHFFFAOYSA-NC13H8F6N2O3 | MW 354.2

Chemical Identity

Molecular Formula

C13H8F6N2O3

Molecular Weight

354.2 g/mol

Exact Mass

354.043911

PubChem CID

2775696

IUPAC Name

1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylic acid

SMILES String

Cn1nc(C(F)(F)F)c(C(=O)O)c1Oc1cccc(C(F)(F)F)c1

Names & Synonyms

1-Methyl-3-(trifluoromethyl)-5-(3-(trifluoromethyl)phenoxy)-1H-pyrazole-4-carboxylic acid1-Methyl-3-(trifluoromethyl)-5-[3-(trifluoro-methyl)phenoxy]-1H-pyrazole-4-carboxylic acidC13H8F6N2O3VGTGQSZJFZSRTL-UHFFFAOYSA-N9F-301S
Show all synonyms
1-Methyl-3-(trifluoromethyl)-5-(3-(trifluoromethyl)phenoxy)-1H-pyrazole-4-carboxylicacid
External Identifiers
MFCD01936007SCHEMBL9545283AKOS005071299CS-0324271

Catalog Overview

1-Methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxylic acid is a complex organic compound characterized by a 1H-pyrazole core substituted with a methyl group, two trifluoromethyl groups, a 3-(trifluoromethyl)phenoxy group, and a carboxylic acid group. Its molecular formula is C13H8F6N2O3 and it has a molecular weight of 354. 20 g/mol. This compound's intricate structure, including multiple fluorine atoms, suggests potential utility in medicinal chemistry, agrochemical research, or materials science as a building block or a lead compound for further investigation.

Use Context

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

1-Methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxylic acid is a complex organic compound characterized by a 1H-pyrazole core substituted with a methyl group, two trifluoromethyl groups, a 3-(trifluoromethyl)phenoxy group, and a carboxylic acid group. Its molecular formula is C13H8F6N2O3 and it has a molecular weight of 354.20 g/mol. This compound's intricate structure, including multiple fluorine atoms, suggests potential utility in medicinal chemistry, agrochemical research, or materials science as a building block or a lead compound for further investigation. It is supplied for research use only (RUO).

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white powder or crystalline solid

Physical State

Solid

Melting Point

120.0 °C

Boiling Point

350.0 °C

Density

1.5 g/cm³

Water Solubility

Slightly 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-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxylic acid with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Work in a well-ventilated area or under a fume hood to minimize exposure. Avoid inhalation, ingestion, and skin contact. Refer to the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures. Store in a cool, dry place, away from incompatible materials.

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