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
External Identifiers
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
EstimatedEstimated / 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
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary 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.