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

CAS 1612247-38-7Formula C9H6FNO2MW 179.15PubChem 90190480

5-Cyano-2-fluoro-4-methylbenzoic acid is a fluorinated benzoic acid derivative featuring a cyano group and a methyl group on the aromatic ring. It is primarily intended for research and development applications as a chemical intermediate in organic synthesis.

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

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
SCHEMBL15758408

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

Estimated

Estimated / 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

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 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

Related products, derivatives, keywords, and application cues for catalog discovery.

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 291899GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.