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2,3,5,6-Tetrafluoro-4-methoxybenzoic acid

CAS 3153-01-3Formula C8H4F4O3MW 224.11PubChem 952397

2,3,5,6-Tetrafluoro-4-methoxybenzoic acid is a tetrafluorinated methoxybenzoic acid, useful as a building block in organic synthesis, particularly for creating novel fluorinated compounds for research purposes.

Loading RDKit molecule structure...
InChIKey: MWSDDXXQRTVVDO-UHFFFAOYSA-NC8H4F4O3 | MW 224.11

Chemical Identity

Molecular Formula

C8H4F4O3

Molecular Weight

224.11 g/mol

Exact Mass

224.009657

PubChem CID

952397

SMILES String

COc1c(F)c(F)c(C(=O)O)c(F)c1F

Names & Synonyms

4-Methoxy-2,3,5,6-tetrafluorobenzoic acid2,3,5,6-tetrafluoro-4-methoxybenzoicacid2,3,5,6-tetrafluoro-4-methoxy-benzoic acidG73000F038289
Show all synonyms
F9994-0677
External Identifiers
MFCD00129961SCHEMBL5702926SCHEMBL5702932DTXSID60359223SBB013305STK141095AKOS000297025FS-5530SY065151ST4119528

Catalog Overview

2,3,5,6-Tetrafluoro-4-methoxybenzoic acid (CAS 3153-01-3) is an organic compound featuring a benzoic acid core substituted with four fluorine atoms and a methoxy group. Its molecular formula is C8H4F4O3 and its molecular weight is 224. 11 g/mol. This highly fluorinated aromatic carboxylic acid serves as a versatile functionalized intermediate in various research applications, especially in the synthesis of novel fluorinated molecules for medicinal chemistry, agrochemicals, and materials science.

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Read more catalog context

2,3,5,6-Tetrafluoro-4-methoxybenzoic acid (CAS 3153-01-3) is an organic compound featuring a benzoic acid core substituted with four fluorine atoms and a methoxy group. Its molecular formula is C8H4F4O3 and its molecular weight is 224.11 g/mol. This highly fluorinated aromatic carboxylic acid serves as a versatile functionalized intermediate in various research applications, especially in the synthesis of novel fluorinated molecules for medicinal chemistry, agrochemicals, and materials science. The presence of multiple fluorine atoms imparts unique electronic and steric properties, making it valuable for modifying compound lipophilicity, metabolic stability, and binding affinity in drug discovery efforts.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White solid

Physical State

Solid

Melting Point

125.0 °C

Boiling Point

248.0 °C

Density

1.54 g/cm³

Water Solubility

Slightly soluble

Flash Point

97.2 °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, 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 thoroughly with water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed safety information before use.

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