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2-Fluoro-3-methoxy-6-(trifluoromethyl)benzoic acid

CAS 2386363-88-6Formula C9H6F4O3MW 238.14PubChem 164891406

2-Fluoro-3-methoxy-6-(trifluoromethyl)benzoic acid is a fluorinated and methoxylated benzoic acid derivative, characterized by a trifluoromethyl group. It serves as a versatile building block in organic synthesis for research purposes, particularly for creating complex molecules with specific electronic and steric properties.

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

Chemical Identity

Molecular Formula

C9H6F4O3

Molecular Weight

238.14 g/mol

Exact Mass

238.025307

PubChem CID

164891406

SMILES String

COc1ccc(C(F)(F)F)c(C(=O)O)c1F

External Identifiers
MFCD34530099

Catalog Overview

2-Fluoro-3-methoxy-6-(trifluoromethyl)benzoic acid (CAS: 2386363-88-6) is an organic compound featuring a benzoic acid core substituted with a fluorine atom, a methoxy group, and a trifluoromethyl group. Its molecular formula is C9H6F4O3 and its molecular weight is 238. 14 g/mol. This compound is classified as a functionalized intermediate, making it valuable in the synthesis of pharmaceuticals, agrochemicals, and advanced materials.

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Read more catalog context

2-Fluoro-3-methoxy-6-(trifluoromethyl)benzoic acid (CAS: 2386363-88-6) is an organic compound featuring a benzoic acid core substituted with a fluorine atom, a methoxy group, and a trifluoromethyl group. Its molecular formula is C9H6F4O3 and its molecular weight is 238.14 g/mol. This compound is classified as a functionalized intermediate, making it valuable in the synthesis of pharmaceuticals, agrochemicals, and advanced materials. The presence of fluorine and trifluoromethyl groups can impart unique chemical reactivity, lipophilicity, and metabolic stability to target compounds, while the carboxylic acid and methoxy groups offer additional sites for further chemical modification. Researchers utilize this compound for its potential in developing novel chemical entities with tailored properties for research and development.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline solid

Physical State

Solid

Melting Point

130.0 °C

Boiling Point

270.0 °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 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. 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.

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