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

CAS 1369490-06-1Formula C13H9F5N2O3MW 336.21PubChem 66826025

This fluorinated pyrazole derivative, 3-(difluoromethyl)-1-methyl-5-(3-(trifluoromethyl)phenoxy)-1H-pyrazole-4-carboxylic acid, features difluoromethyl, trifluoromethylphenoxy, and carboxylic acid functionalities. It is intended for research and development applications, particularly in medicinal chemistry and agrochemical research.

Loading RDKit molecule structure...
InChIKey: PSZGSAQBIBBCRP-UHFFFAOYSA-NC13H9F5N2O3 | MW 336.21

Chemical Identity

Molecular Formula

C13H9F5N2O3

Molecular Weight

336.21 g/mol

Exact Mass

336.053333

PubChem CID

66826025

IUPAC Name

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

SMILES String

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

Names & Synonyms

3-(difluoromethyl)-1-methyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxylic acidC13H9F5N2O31H-Pyrazole-4-carboxylic acid, 3-(difluoromethyl)-1-methyl-5-[3-(trifluoromethyl)phenoxy]-W12141F613851
Show all synonyms
3-(difluoromethyl)-1-methyl-5-(3-(trifluoromethyl)phenoxy)-1H-pyrazole-4-carboxylicacid
External Identifiers
MFCD30185166SCHEMBL876698AKOS027429200SB18307AS-55005SY099650CS-0044326

Catalog Overview

3-(Difluoromethyl)-1-methyl-5-(3-(trifluoromethyl)phenoxy)-1H-pyrazole-4-carboxylic acid is an organic compound characterized by a pyrazole core substituted with a difluoromethyl group, a methyl group, a 3-(trifluoromethyl)phenoxy moiety, and a carboxylic acid group. Its complex structure, rich in fluorine atoms, makes it a valuable building block or lead compound in medicinal chemistry and agrochemical research, particularly for exploring structure-activity relationships in fluorinated heterocyclic systems. This compound is strictly for Research Use Only (RUO).

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

165.0 °C

Boiling Point

380.0 °C

Density

1.5 g/cm³

Water Solubility

Slightly soluble

Flash Point

205.0 °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 with appropriate personal protective equipment (PPE) including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid ingestion and skin contact. Refer to the Safety Data Sheet (SDS) for detailed safety information, handling instructions, and emergency procedures. Store in a cool, dry place away from incompatible materials.

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.