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5-Fluoro-2-isopropoxy-3-(trifluoromethyl)benzoic acid

CAS 2901098-76-6Formula C11H10F4O3MW 266.19PubChem 177691277

A fluorinated benzoic acid derivative, 5-Fluoro-2-isopropoxy-3-(trifluoromethyl)benzoic acid is a research chemical characterized by its aromatic core substituted with fluorine, an isopropoxy group, and a trifluoromethyl group. It is primarily used as a building block in synthetic organic chemistry.

Loading RDKit molecule structure...
InChIKey: MGZOWBZRQHAZFK-UHFFFAOYSA-NC11H10F4O3 | MW 266.19

Chemical Identity

Molecular Formula

C11H10F4O3

Molecular Weight

266.19 g/mol

Exact Mass

266.056607

PubChem CID

177691277

IUPAC Name

5-fluoro-2-propan-2-yloxy-3-(trifluoromethyl)benzoic acid

SMILES String

CC(C)Oc1c(C(=O)O)cc(F)cc1C(F)(F)F

External Identifiers
MFCD34763299

Catalog Overview

5-Fluoro-2-isopropoxy-3-(trifluoromethyl)benzoic acid is an organic compound featuring a benzoic acid core. The benzene ring is substituted with a fluorine atom at position 5, an isopropoxy group at position 2, and a trifluoromethyl group at position 3. This combination of functional groups makes it a versatile intermediate in the synthesis of complex organic molecules, particularly those with potential pharmaceutical or agrochemical relevance. Its 'druglike_bioactive_like' structural classification suggests its utility in medicinal chemistry research.

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 powder

Physical State

Solid

Melting Point

110.0 °C

Boiling Point

300.0 °C

Density

1.5 g/cm³

Water Solubility

Slightly soluble

Flash Point

180.0 °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-Fluoro-2-isopropoxy-3-(trifluoromethyl)benzoic acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment (PPE), including safety goggles, gloves, and a lab coat. 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.

Similar products (text references)

444151-68-2CAS 444151-68-2
438466-00-3CAS 438466-00-3
3-Fluoro-4-isopropoxy-5-(trifluoromethyl)benzoic acidCAS 2624417-09-8
2-Fluoro-3-isopropoxy-5-(trifluoromethyl)benzoic acidCAS 2432848-76-3
2-(4-Fluoro-2-trifluoromethyl-phenoxy)-2-methyl-propionic acidCAS 2301068-50-6

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.