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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.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Similar products (text references)

2734778-07-3CAS 2734778-07-3
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2969210-33-9CAS 2969210-33-9
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: 2918990000GHS 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.