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
External Identifiers
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
EstimatedEstimated / 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
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 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 CAS / Similar Products
Recommended application cues
Catalog discovery cues, not supplier-verified claims.
Related HS Code / Compliance
Compliance cues are non-linked reference tags and require shipment review.