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4-Fluoro-3-(methylthio)-5-(trifluoromethyl)benzoic acid

CAS 2901101-99-1Formula C9H6F4O2SMW 254.2PubChem 177691795

4-Fluoro-3-(methylthio)-5-(trifluoromethyl)benzoic acid is a fluorinated benzoic acid derivative, characterized by a trifluoromethyl group and a methylthio substituent on a benzene ring. It is primarily intended for research and development applications.

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

Chemical Identity

Molecular Formula

C9H6F4O2S

Molecular Weight

254.2 g/mol

Exact Mass

254.002463

PubChem CID

177691795

IUPAC Name

4-fluoro-3-methylsulfanyl-5-(trifluoromethyl)benzoic acid

SMILES String

CSc1cc(C(=O)O)cc(C(F)(F)F)c1F

External Identifiers
MFCD34762938

Catalog Overview

4-Fluoro-3-(methylthio)-5-(trifluoromethyl)benzoic acid, with CAS 2901101-99-1 and molecular formula C9H6F4O2S, is an organic compound featuring a highly substituted benzene ring. The structure includes a carboxylic acid group, a fluorine atom, a methylthio group, and a trifluoromethyl group. This combination of functional groups makes it a versatile building block in synthetic chemistry, particularly for the creation of novel fluorinated compounds. Its unique structural features may lend it to applications in medicinal chemistry, agrochemical research, or materials science, where fluorinated aromatic systems are often desired for...

Use Context

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

4-Fluoro-3-(methylthio)-5-(trifluoromethyl)benzoic acid, with CAS 2901101-99-1 and molecular formula C9H6F4O2S, is an organic compound featuring a highly substituted benzene ring. The structure includes a carboxylic acid group, a fluorine atom, a methylthio group, and a trifluoromethyl group. This combination of functional groups makes it a versatile building block in synthetic chemistry, particularly for the creation of novel fluorinated compounds. Its unique structural features may lend it to applications in medicinal chemistry, agrochemical research, or materials science, where fluorinated aromatic systems are often desired for their specific electronic and steric properties.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline powder

Physical State

Solid

Melting Point

165.0 °C

Boiling Point

370.0 °C

Density

1.5 g/cm³

Water Solubility

Slightly soluble

Flash Point

200.0 °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 4-Fluoro-3-(methylthio)-5-(trifluoromethyl)benzoic acid 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 comprehensive safety information and emergency 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)

2734778-07-3CAS 2734778-07-3
1262515-30-9CAS 1262515-30-9
2969210-33-9CAS 2969210-33-9
2-Fluoro-3-(methylthio)-6-(trifluoromethyl)benZoic acidCAS 2921836-40-8
1775908-07-0CAS 1775908-07-0

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 29189990GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.