MolGraphChemical Intelligence
Active Chemical RecordCatalog PreviewCatalog ready

2-Cyano-4-fluoro-3-methylbenzoic acid

CAS 1807173-72-3Formula C9H6FNO2MW 179.15PubChem 130898081

2-Cyano-4-fluoro-3-methylbenzoic acid is a fluorinated benzoic acid derivative featuring a cyano and methyl group. It is primarily used as a research chemical, particularly as a versatile building block in organic synthesis for the development of novel compounds.

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

Chemical Identity

Molecular Formula

C9H6FNO2

Molecular Weight

179.15 g/mol

Exact Mass

179.038257

PubChem CID

130898081

SMILES String

Cc1c(F)ccc(C(=O)O)c1C#N

Names & Synonyms

Z2311120396
External Identifiers
SCHEMBL24717809SCHEMBL30798293AT40171DB-377291EN300-20960102

Catalog Overview

2-Cyano-4-fluoro-3-methylbenzoic acid, with CAS number 1807173-72-3 and molecular formula C9H6FNO2, is a synthetic organic compound classified as a functionalized intermediate. This molecule incorporates a benzoic acid core substituted with a cyano group at position 2, a fluorine atom at position 4, and a methyl group at position 3. Its distinct structural features make it a valuable reagent in various research and development applications, especially in the synthesis of more complex organic molecules. It is intended for Research Use Only (RUO).

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

170.0 °C

Boiling Point

350.0 °C

Density

1.4 g/cm³

Water Solubility

Slightly soluble

Flash Point

220.0 °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-Cyano-4-fluoro-3-methylbenzoic acid with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood. Avoid inhalation, ingestion, and skin contact. Refer to the Safety Data Sheet (SDS) for detailed hazard information and safe handling 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.

Related products and analog discovery will be available as catalog graph data is expanded.