Formula C14H12BrF3N2O2SMW 409.22Research-use catalog entryCOA/SDS by request

CAS 318239-58-6

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

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InChIKey: XIYKNQMCMOTZEV-UHFFFAOYSA-NC14H12BrF3N2O2S | MW 409.22

Chemical Absolute Identifiers

CAS Number

318239-58-6

PubChem CID

1475917

Molecular Formula

C14H12BrF3N2O2S

Molecular Weight

409.22 g/mol

Exact Mass

407.9755

InChIKey

XIYKNQMCMOTZEV-UHFFFAOYSA-N

IUPAC Name

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

SMILES String

CC(=O)OCc1c(C(F)(F)F)nn(C)c1Sc1ccc(Br)cc1

Physical Properties

Appearance

White solid

Physical State

Solid

Melting Point

100.0 °C

Boiling Point

450.0 °C

Density

1.5 g/cm³

Water Solubility

Insoluble

Flash Point

250.0 °C

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

This compound is a complex organic molecule featuring a pyrazole core substituted with a bromophenylsulfanyl group, a methyl group, a trifluoromethyl group, and a methyl acetate group. Its structure suggests...

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

For research use only. This compound can serve as a versatile building block in organic synthesis, particularly for creating novel pyrazole derivatives. It may be explored in medicinal chemistry for medicinal...

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Applications & Classification

Research intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Handling and Storage
  • Handle with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for comprehensive safety information before use.

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Catalog navigation

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