Active Chemical RecordCatalog PreviewCatalog ready

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

CAS 1807142-97-7Formula C9H6FNO2MW 179.15PubChem 118816097

4-Cyano-2-fluoro-5-methylbenzoic acid is a fluorinated benzoic acid derivative featuring a cyano group and a methyl group. It is primarily used as a versatile building block in organic synthesis, particularly for creating more complex molecules in pharmaceutical and agrochemical research.

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

Chemical Identity

Molecular Formula

C9H6FNO2

Molecular Weight

179.15 g/mol

Exact Mass

179.038257

PubChem CID

118816097

SMILES String

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

Names & Synonyms

4-cyano-2-fluoro-5-methyl-benzoic acidH67062
External Identifiers
MFCD28769457

Catalog Overview

4-Cyano-2-fluoro-5-methylbenzoic acid (CAS: 1807142-97-7) is an organic compound characterized by a benzoic acid core substituted with a cyano group at position 4, a fluorine atom at position 2, and a methyl group at position 5. With a molecular formula of C9H6FNO2 and a molecular weight of 179. 15 g/mol, this compound serves as a key functionalized intermediate. Its distinct functional groupsricarboxylic acid, nitrile, and fluorinermake it highly reactive and suitable for various synthetic transformations, including esterifications, amide formations, nitrile hydrolysis, and aromatic substitutions.

Use Context

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

4-Cyano-2-fluoro-5-methylbenzoic acid (CAS: 1807142-97-7) is an organic compound characterized by a benzoic acid core substituted with a cyano group at position 4, a fluorine atom at position 2, and a methyl group at position 5. With a molecular formula of C9H6FNO2 and a molecular weight of 179.15 g/mol, this compound serves as a key functionalized intermediate. Its distinct functional groupsricarboxylic acid, nitrile, and fluorinermake it highly reactive and suitable for various synthetic transformations, including esterifications, amide formations, nitrile hydrolysis, and aromatic substitutions. Researchers utilize this compound in the synthesis of novel chemical entities, often exploring its potential in medicinal chemistry and materials science.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline powder

Physical State

Solid

Melting Point

170.0 °C

Boiling Point

320.0 °C

Density

1.4 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 with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood to avoid inhalation. Avoid contact with skin and eyes. 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 detailed hazard information and safe handling procedures. This product is for research use only and not for human or animal therapeutic or diagnostic use.

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.