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

CAS 957010-42-3Formula C15H12F6N2O2SMW 398.3PubChem 1475906

This compound is (1-methyl-3-(trifluoromethyl)-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1H-pyrazol-4-yl)methyl acetate, identified by CAS 957010-42-3. It is a complex organic molecule with the formula C15H12F6N2O2S and a molecular weight of 398.30. Featuring a pyrazole core substituted with methyl, trifluoromethyl, and a [3-(trifluoromethyl)phenyl]sulfanyl group, along with a methyl acetate moiety, it is categorized as research-oriented/research-oriented, indicating its potential utility in medicinal chemistry and related research fields.

Loading RDKit molecule structure...
InChIKey: MXIQLAIMHALPKF-UHFFFAOYSA-NC15H12F6N2O2S | MW 398.3

Chemical Identity

Molecular Formula

C15H12F6N2O2S

Molecular Weight

398.3 g/mol

Exact Mass

398.052368

PubChem CID

1475906

IUPAC Name

[1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazol-4-yl]methyl acetate

SMILES String

CC(=O)OCc1c(C(F)(F)F)nn(C)c1Sc1cccc(C(F)(F)F)c1

Names & Synonyms

[1-methyl-3-(trifluoromethyl)-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1H-pyrazol-4-yl]methyl acetate4G-339S[1-methyl-3-(trifluoromethyl)-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1H-pyrazol-4-yl]methylacetate
External Identifiers
AKOS005091457

Catalog Overview

(1-methyl-3-(trifluoromethyl)-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1H-pyrazol-4-yl)methyl acetate, with CAS 957010-42-3, is a complex organic compound featuring a 1H-pyrazole core. Its molecular formula is C15H12F6N2O2S and it has a molecular weight of 398. 30. The structure includes a methyl group, two trifluoromethyl groups (one on the pyrazole and one on the phenyl ring), a [3-(trifluoromethyl)phenyl]sulfanyl moiety, and a methyl acetate group.

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)phenyl]sulfanyl}-1H-pyrazol-4-yl)methyl acetate, with CAS 957010-42-3, is a complex organic compound featuring a 1H-pyrazole core. Its molecular formula is C15H12F6N2O2S and it has a molecular weight of 398.30. The structure includes a methyl group, two trifluoromethyl groups (one on the pyrazole and one on the phenyl ring), a [3-(trifluoromethyl)phenyl]sulfanyl moiety, and a methyl acetate group. Classified within the research-oriented chemical scaffold, this compound is of interest for various research applications, particularly in medicinal chemistry and drug discovery. It is intended strictly for Research Use Only.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white solid

Physical State

Solid

Melting Point

95.0 °C

Boiling Point

350.0 °C

Density

1.4 g/cm³

Water Solubility

Insoluble

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

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: 293499GHS 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.