Chemical Identity
Molecular Formula
C9H6FNO2
Molecular Weight
179.15 g/mol
Exact Mass
179.038257
PubChem CID
90190480
SMILES String
Cc1cc(F)c(C(=O)O)cc1C#N
External Identifiers
Catalog Overview
5-Cyano-2-fluoro-4-methylbenzoic acid (CAS 1612247-38-7, molecular formula C9H6FNO2) is an organic compound featuring 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 building block in synthetic organic chemistry. Its structure suggests potential utility in the synthesis of more complex molecules, particularly those involving aromatic systems, where the cyano group can be further transformed, the fluorine atom can influence electronic properties, and the carboxylic acid group provides a reactive handle. It is classified as a...
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
5-Cyano-2-fluoro-4-methylbenzoic acid (CAS 1612247-38-7, molecular formula C9H6FNO2) is an organic compound featuring 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 building block in synthetic organic chemistry. Its structure suggests potential utility in the synthesis of more complex molecules, particularly those involving aromatic systems, where the cyano group can be further transformed, the fluorine atom can influence electronic properties, and the carboxylic acid group provides a reactive handle. It is classified as a functionalized intermediate for research applications.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white crystalline powder
Physical State
Solid
Melting Point
175.0 °C
Boiling Point
350.0 °C
Density
1.4 g/cm³
Water Solubility
Slightly soluble
Flash Point
195.0 °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 5-Cyano-2-fluoro-4-methylbenzoic acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety glasses, chemical-resistant gloves, and a lab coat, to prevent skin and eye contact. Avoid inhalation of dust or vapors. In case of contact, rinse thoroughly with water. Consult the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures. Store in a cool, dry place, away from incompatible materials, for research use only.
Related Products / Graph Discovery
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Related products and analog discovery will be available as catalog graph data is expanded.