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

CAS 1807296-40-7Formula C9H6FNO2MW 179.15PubChem 130980145

4-Cyano-5-fluoro-2-methylbenzoic acid is a functionalized benzoic acid derivative, featuring a cyano, fluoro, and methyl group. It serves as a versatile chemical intermediate for research and development.

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

Chemical Identity

Molecular Formula

C9H6FNO2

Molecular Weight

179.15 g/mol

Exact Mass

179.038257

PubChem CID

130980145

SMILES String

Cc1cc(C#N)c(F)cc1C(=O)O

Names & Synonyms

H68580
External Identifiers
MFCD28769461

Catalog Overview

4-Cyano-5-fluoro-2-methylbenzoic acid, with CAS 1807296-40-7 and molecular formula C9H6FNO2, is an organic compound characterized by a benzoic acid core substituted with a cyano group at position 4, a fluoro group at position 5, and a methyl group at position 2. This compound is primarily utilized in research settings as a key building block for the synthesis of more complex molecules, particularly within pharmaceutical and agrochemical research due to its diverse functional groups.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline solid

Physical State

Solid

Melting Point

165.0 °C

Boiling Point

380.0 °C

Density

1.45 g/cm³

Water Solubility

Very slightly soluble

Flash Point

220.0 °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 4-Cyano-5-fluoro-2-methylbenzoic acid with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to minimize exposure. Avoid inhalation, ingestion, and skin contact. Store in a cool, dry place, away from incompatible materials. Refer to the Safety Data Sheet (SDS) for comprehensive safety information before handling.

Related Products / Graph Discovery

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

Similar products (text references)

5-Cyano-2-fluoro-4-methylbenzoic acidCAS 1612247-38-7
2-Cyano-4-fluoro-3-methylbenzoic acidCAS 1807173-72-3
5-Cyano-4-fluoro-2-methylbenzoic acidCAS 1803752-66-0
4-Cyano-3-fluoro-5-methylbenzoic acidCAS 1807250-98-1
4-Cyano-2-fluoro-5-methylbenzoic acidCAS 1807142-97-7

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.