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2-Methyl-5-(pentafluorosulfur)benzoic acid

CAS 623943-54-4Formula C8H7F5O2SMW 262.2PubChem 66523588

2-Methyl-5-(pentafluorosulfur)benzoic acid is a research-use chemical featuring a benzoic acid structure with a methyl and a pentafluorosulfur (SF5) substituent. It is primarily utilized as a synthetic building block, leveraging the unique electron-withdrawing and metabolically stable properties of the SF5 group for applications in medicinal chemistry and materials science.

Loading RDKit molecule structure...
InChIKey: HSIPIUUYFOAFKK-UHFFFAOYSA-NC8H7F5O2S | MW 262.2

Chemical Identity

Molecular Formula

C8H7F5O2S

Molecular Weight

262.2 g/mol

Exact Mass

262.008691

PubChem CID

66523588

IUPAC Name

2-methyl-5-(pentafluoro-lambda6-sulfanyl)benzoic acid

SMILES String

Cc1ccc(S(F)(F)(F)(F)F)cc1C(=O)O

Names & Synonyms

2-Methyl-5-(pentafluorothio)benzoic acid2-Methyl-5-(pentafluoro-|E6-sulfanyl)benzoic acid2-METHYL-5-(PENTAFLUORO-??-SULFANYL)BENZOIC ACID
External Identifiers
MFCD16652477SCHEMBL2348838AKOS015957195JS-5306CS-0331607

Catalog Overview

2-Methyl-5-(pentafluorosulfur)benzoic acid is an organic compound featuring a benzoic acid core substituted with a methyl group and a pentafluorosulfur (SF5) group. The SF5 group is known for its strong electron-withdrawing properties, high metabolic stability, and lipophilicity, making it a valuable moiety in medicinal chemistry and materials science. This compound serves as a versatile building block for the synthesis of novel chemical entities, particularly in the development of pharmaceuticals, agrochemicals, and advanced materials where the unique characteristics of the SF5 group are desired to modulate physicochemical and...

Use Context

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

2-Methyl-5-(pentafluorosulfur)benzoic acid is an organic compound featuring a benzoic acid core substituted with a methyl group and a pentafluorosulfur (SF5) group. The SF5 group is known for its strong electron-withdrawing properties, high metabolic stability, and lipophilicity, making it a valuable moiety in medicinal chemistry and materials science. This compound serves as a versatile building block for the synthesis of novel chemical entities, particularly in the development of pharmaceuticals, agrochemicals, and advanced materials where the unique characteristics of the SF5 group are desired to modulate physicochemical and biological properties.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White solid

Physical State

Solid

Melting Point

160.0 °C

Boiling Point

300.0 °C

Density

1.6 g/cm³

Water Solubility

Slightly soluble

Flash Point

175.0 °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-Methyl-5-(pentafluorosulfur)benzoic acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety glasses, gloves, and a lab coat, to prevent skin and eye contact. Avoid inhalation of dust or vapors. Ensure proper storage in a cool, dry place, away from incompatible materials. Dispose of waste in accordance with local regulations for chemical waste. This product is for research use only and not for human or animal therapeutic or diagnostic use.

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