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

CAS 2918881-58-8Formula C11H10F4O3MW 266.19PubChem 177688684

2-Fluoro-5-isopropoxy-3-(trifluoromethyl)benzoic acid is a fluorinated benzoic acid derivative featuring an isopropoxy group and a trifluoromethyl group. With a molecular formula of C11H10F4O3 and a molecular weight of 266.19 g/mol, this compound is primarily intended for research and development applications as a chemical intermediate or building block in synthetic organic chemistry, particularly for the synthesis of novel fluorinated and drug-like molecules. It is for research use only.

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

Chemical Identity

Molecular Formula

C11H10F4O3

Molecular Weight

266.19 g/mol

Exact Mass

266.056607

PubChem CID

177688684

IUPAC Name

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

SMILES String

CC(C)Oc1cc(C(=O)O)c(F)c(C(F)(F)F)c1

Names & Synonyms

H66631
External Identifiers
MFCD34771448

Catalog Overview

2-Fluoro-5-isopropoxy-3-(trifluoromethyl)benzoic acid (CAS: 2918881-58-8) is an organic compound with the molecular formula C11H10F4O3 and a molecular weight of 266. 19 g/mol. It features a benzoic acid core substituted with a fluorine atom, an isopropoxy group, and a trifluoromethyl group. This chemical is primarily intended for research and development applications, serving as a versatile building block or intermediate in synthetic organic chemistry, particularly in the creation of novel fluorinated compounds or drug-like molecules.

Use Context

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

2-Fluoro-5-isopropoxy-3-(trifluoromethyl)benzoic acid (CAS: 2918881-58-8) is an organic compound with the molecular formula C11H10F4O3 and a molecular weight of 266.19 g/mol. It features a benzoic acid core substituted with a fluorine atom, an isopropoxy group, and a trifluoromethyl group. This chemical is primarily intended for research and development applications, serving as a versatile building block or intermediate in synthetic organic chemistry, particularly in the creation of novel fluorinated compounds or drug-like molecules. Its structural characteristics classify it as 'druglike_bioactive_like', highlighting its potential relevance in medicinal chemistry research. This product is for research use only (RUO).

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

310.0 °C

Density

1.45 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 chemical-resistant gloves, safety glasses or goggles, and a lab coat. Ensure use in a well-ventilated area or a certified fume hood to prevent inhalation exposure. Avoid direct contact with skin and eyes. In case of accidental contact, rinse affected areas immediately with plenty of water and seek medical attention if irritation persists. Store the compound in a cool, dry place, securely sealed, and away from incompatible materials. Always refer to the Safety Data Sheet (SDS) for comprehensive safety information and handling procedures before use.

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