Chemical Identity
Molecular Formula
C9H6FNO2
Molecular Weight
179.15 g/mol
Exact Mass
179.038257
PubChem CID
118827489
SMILES String
Cc1cc(C(=O)O)cc(F)c1C#N
Names & Synonyms
Catalog Overview
4-Cyano-3-fluoro-5-methylbenzoic acid, with CAS 1807250-98-1 and molecular formula C9H6FNO2, is a synthetic organic compound. It contains a benzoic acid core substituted with a cyano group, a fluorine atom, and a methyl group. This specific arrangement of functional groups makes it a versatile intermediate in the synthesis of more complex molecules, particularly in medicinal chemistry and materials science research. Its structure allows for further derivatization through reactions involving the carboxylic acid, cyano, or fluoro functionalities.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white crystalline powder
Physical State
Solid
Melting Point
185.0 °C
Boiling Point
350.0 °C
Density
1.45 g/cm³
Water Solubility
Slightly soluble
Flash Point
225.0 °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 and eye protection, in a well-ventilated area or fume hood. Avoid inhalation, ingestion, and skin contact. Refer to the Safety Data Sheet (SDS) for detailed safety information and emergency 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.