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5-Cyano-4-fluoro-2-methylbenzoic acid

CAS 1803752-66-0Formula C9H6FNO2MW 179.15PubChem 117277881

5-Cyano-4-fluoro-2-methylbenzoic acid is a fluorinated benzoic acid derivative featuring a cyano group and a methyl group. It serves as a versatile building block in organic synthesis for research purposes.

Loading RDKit molecule structure...
InChIKey: XYYAQULOQHRWAG-UHFFFAOYSA-NC9H6FNO2 | MW 179.15

Chemical Identity

Molecular Formula

C9H6FNO2

Molecular Weight

179.15 g/mol

Exact Mass

179.038257

PubChem CID

117277881

SMILES String

Cc1cc(F)c(C#N)cc1C(=O)O

Names & Synonyms

5-cyano-4-fluoro-2-methyl-benzoic acid

Catalog Overview

5-Cyano-4-fluoro-2-methylbenzoic acid, identified by CAS 1803752-66-0, is an organic compound with the molecular formula C9H6FNO2 and a molecular weight of 179.15 g/mol. This compound is characterized by a benzoic acid core substituted with a cyano group, a fluorine atom, and a methyl group. As a functionalized intermediate, it is valuable in synthetic chemistry for introducing these specific functionalities into more complex molecular structures. Its distinct chemical properties make it suitable for various research and development applications, particularly in the synthesis of novel compounds for research use.

Use Context

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

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white crystalline solid

Physical State

solid

Melting Point

180.0 °C

Boiling Point

350.0 °C

Density

1.4 g/cm³

Water Solubility

slightly soluble

Flash Point

190.0 °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 5-Cyano-4-fluoro-2-methylbenzoic 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 detailed safety information and emergency procedures. This product is for research use only and not for human or animal therapeutic or diagnostic use.

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