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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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364741-82-2CAS 364741-82-2
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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.