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{1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl}methyl acetate

CAS 318469-44-2Formula C15H12F6N2O3MW 382.26PubChem 1478798

{1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl}methyl acetate is a complex organic compound featuring two trifluoromethyl groups, a pyrazole core, and an acetate ester. With a molecular formula of C15H12F6N2O3 and a molecular weight of 382.26, it is classified within the research-oriented chemical scaffold, suggesting its potential relevance in medicinal chemistry research.

Loading RDKit molecule structure...
InChIKey: TXIBETLKPCJTCQ-UHFFFAOYSA-NC15H12F6N2O3 | MW 382.26

Chemical Identity

Molecular Formula

C15H12F6N2O3

Molecular Weight

382.26 g/mol

Exact Mass

382.075211

PubChem CID

1478798

IUPAC Name

[1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methyl acetate

SMILES String

CC(=O)OCc1c(C(F)(F)F)nn(C)c1Oc1cccc(C(F)(F)F)c1

Names & Synonyms

[1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl]methyl acetatecid_1478798REGID_for_CID_1478798HMS2422D095G-368S
Show all synonyms
[1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl]methylacetate[1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methyl ethanoateacetic acid [1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-4-pyrazolyl]methyl esteracetic acid [1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methyl ester
External Identifiers
SMR000169440MLS000546270CHEMBL1698180BDBM77415MFCD00172665AKOS005092193

Catalog Overview

This compound, identified by CAS 318469-44-2, is {1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl}methyl acetate. It is characterized by a pyrazole ring substituted with a methyl group, a trifluoromethyl group, and a phenoxy group which itself bears another trifluoromethyl substituent. An acetate ester is attached via a methyl linker to the pyrazole ring. Its molecular structure, C15H12F6N2O3, and molecular weight of 382.

Use Context

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

This compound, identified by CAS 318469-44-2, is {1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl}methyl acetate. It is characterized by a pyrazole ring substituted with a methyl group, a trifluoromethyl group, and a phenoxy group which itself bears another trifluoromethyl substituent. An acetate ester is attached via a methyl linker to the pyrazole ring. Its molecular structure, C15H12F6N2O3, and molecular weight of 382.26, position it as a compound of interest in the synthesis and study of novel chemical entities, particularly within the realm of research-oriented and research-oriented molecules for research applications.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline solid

Physical State

Solid

Melting Point

105.0 °C

Boiling Point

350.0 °C

Density

1.4 g/cm³

Water Solubility

Slightly soluble

Flash Point

180.0 °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-pyrazol-4-yl}methyl acetate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Avoid inhalation, ingestion, and skin contact. Refer to the Safety Data Sheet (SDS) for detailed hazard information and safe handling 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.