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3-Fluoro-4-isopropoxy-5-(trifluoromethyl)benzoic acid

CAS 2624417-09-8Formula C11H10F4O3MW 266.19PubChem 163198160

This compound is a fluorinated benzoic acid derivative featuring an isopropoxy group and a trifluoromethyl group. It is primarily intended for research and development applications, particularly in medicinal chemistry and synthetic organic chemistry, where its unique structural features may be explored for novel compound synthesis or as a building block.

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

Chemical Identity

Molecular Formula

C11H10F4O3

Molecular Weight

266.19 g/mol

Exact Mass

266.056607

PubChem CID

163198160

IUPAC Name

3-fluoro-4-propan-2-yloxy-5-(trifluoromethyl)benzoic acid

SMILES String

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

Names & Synonyms

E96598
External Identifiers
MFCD33403821CS-0190698

Catalog Overview

3-Fluoro-4-isopropoxy-5-(trifluoromethyl)benzoic acid, identified by CAS 2624417-09-8, is an organic compound with the molecular formula C11H10F4O3 and a molecular weight of 266. 19 g/mol. It is characterized by a benzoic acid core substituted with a fluorine atom, an isopropoxy group, and a trifluoromethyl group. This combination of substituents makes it a valuable chemical intermediate or building block in the synthesis of complex organic molecules.

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Read more catalog context

3-Fluoro-4-isopropoxy-5-(trifluoromethyl)benzoic acid, identified by CAS 2624417-09-8, is an organic compound with the molecular formula C11H10F4O3 and a molecular weight of 266.19 g/mol. It is characterized by a benzoic acid core substituted with a fluorine atom, an isopropoxy group, and a trifluoromethyl group. This combination of substituents makes it a valuable chemical intermediate or building block in the synthesis of complex organic molecules. Its "druglike_bioactive_like" structural classification suggests potential utility in drug discovery research, where such scaffolds are often investigated for their pharmacological properties or as precursors to biologically active compounds. Researchers may utilize this compound in various synthetic routes to explore structure-activity relationships or develop new chemical entities.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline solid or powder

Physical State

Solid

Melting Point

115.0 °C

Boiling Point

300.0 °C

Density

1.4 g/cm³

Water Solubility

Slightly soluble

Flash Point

175.0 °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 under a fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. Store in a cool, dry place, tightly sealed.

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