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2-Fluoro-3-(trifluoromethoxy)phenyl acetate

CAS 1437794-81-4Formula C9H6F4O3MW 238.14PubChem 75486212

This compound is a fluorinated phenyl acetate derivative, characterized by a fluoro group and a trifluoromethoxy group on the phenyl ring, along with an acetate ester. It is primarily intended for research and development applications as a chemical intermediate.

Loading RDKit molecule structure...
InChIKey: VONKDBFQWGSSQG-UHFFFAOYSA-NC9H6F4O3 | MW 238.14

Chemical Identity

Molecular Formula

C9H6F4O3

Molecular Weight

238.14 g/mol

Exact Mass

238.025307

PubChem CID

75486212

IUPAC Name

[2-fluoro-3-(trifluoromethoxy)phenyl] acetate

SMILES String

CC(=O)Oc1cccc(OC(F)(F)F)c1F

Names & Synonyms

2-Fluoro-3-(trifluoromethoxy)phenylacetate
External Identifiers
MFCD24448802BS-27606

Catalog Overview

2-Fluoro-3-(trifluoromethoxy)phenyl acetate, identified by CAS 1437794-81-4, is an organic compound with the molecular formula C9H6F4O3 and a molecular weight of 238. 14 g/mol. Structurally, it features a phenyl ring substituted with a fluorine atom at position 2, a trifluoromethoxy group (-OCF3) at position 3, and an acetate ester group (-OCOCH3) attached to the phenyl ring. This combination of functional groups makes it a versatile building block in synthetic organic chemistry, particularly in the synthesis of more complex fluorinated molecules.

Use Context

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

2-Fluoro-3-(trifluoromethoxy)phenyl acetate, identified by CAS 1437794-81-4, is an organic compound with the molecular formula C9H6F4O3 and a molecular weight of 238.14 g/mol. Structurally, it features a phenyl ring substituted with a fluorine atom at position 2, a trifluoromethoxy group (-OCF3) at position 3, and an acetate ester group (-OCOCH3) attached to the phenyl ring. This combination of functional groups makes it a versatile building block in synthetic organic chemistry, particularly in the synthesis of more complex fluorinated molecules. Its trifluoromethoxy moiety is known to impart unique electronic and lipophilic properties, which can be advantageous in drug discovery and material science research. This compound is suitable for research use only (RUO).

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

Colorless

Physical State

Liquid

Melting Point

5.0 °C

Boiling Point

220.0 °C

Density

1.35 g/cm³

Water Solubility

Sparingly soluble

Flash Point

95.0 °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 with appropriate personal protective equipment (PPE) including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Refer to the Safety Data Sheet (SDS) for comprehensive safety information. This product is for research use only and not for human or animal therapeutic or diagnostic use.

Related Products / Graph Discovery

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

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Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 291539GHS 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.