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2-Fluoro-3-(methylthio)-6-(trifluoromethyl)benZoic acid

CAS 2921836-40-8Formula C9H6F4O2SMW 254.2PubChem 171368303

A fluorinated benzoic acid derivative containing methylthio and trifluoromethyl groups, primarily for research applications.

Loading RDKit molecule structure...
InChIKey: MBFHHSCWGSJCOW-UHFFFAOYSA-NC9H6F4O2S | MW 254.2

Chemical Identity

Molecular Formula

C9H6F4O2S

Molecular Weight

254.2 g/mol

Exact Mass

254.002463

PubChem CID

171368303

IUPAC Name

2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)benzoic acid

SMILES String

CSc1ccc(C(F)(F)F)c(C(=O)O)c1F

Names & Synonyms

H66616
External Identifiers
MFCD34818300

Catalog Overview

2-Fluoro-3-(methylthio)-6-(trifluoromethyl)benzoic acid is an organic compound characterized by a benzoic acid core substituted with a fluorine atom, a methylthio group, and a trifluoromethyl group. With a molecular formula of C9H6F4O2S and a molecular weight of 254.20 g/mol, this compound is of interest in synthetic organic chemistry and medicinal chemistry research. Its structural features, including the electron-withdrawing trifluoromethyl group and the sulfur-containing methylthio moiety, suggest potential utility as a building block for synthesizing more complex molecules or as a scaffold for exploring structure-activity...

Use Context

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

2-Fluoro-3-(methylthio)-6-(trifluoromethyl)benzoic acid is an organic compound characterized by a benzoic acid core substituted with a fluorine atom, a methylthio group, and a trifluoromethyl group. With a molecular formula of C9H6F4O2S and a molecular weight of 254.20 g/mol, this compound is of interest in synthetic organic chemistry and medicinal chemistry research. Its structural features, including the electron-withdrawing trifluoromethyl group and the sulfur-containing methylthio moiety, suggest potential utility as a building block for synthesizing more complex molecules or as a scaffold for exploring structure-activity relationships in drug discovery and development. It is intended for Research Use Only (RUO).

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white crystalline solid

Physical State

solid

Melting Point

145.0 °C

Boiling Point

295.0 °C

Density

1.52 g/cm³

Water Solubility

sparingly soluble

Flash Point

170.0 °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 2-Fluoro-3-(methylthio)-6-(trifluoromethyl)benzoic acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat, to prevent skin and eye contact. Avoid inhalation of dust or vapors. 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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