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4-Methyl-2,5-bis(trifluoromethyl)benzoic acid

CAS 1706436-17-0Formula C10H6F6O2MW 272.14PubChem 86811403

This compound is a fluorinated benzoic acid derivative, characterized by a methyl group and two trifluoromethyl groups on the benzene ring. It is primarily intended for research and development applications.

Loading RDKit molecule structure...
InChIKey: XONWPGMYEQXSBC-UHFFFAOYSA-NC10H6F6O2 | MW 272.14

Chemical Identity

Molecular Formula

C10H6F6O2

Molecular Weight

272.14 g/mol

Exact Mass

272.027198

PubChem CID

86811403

SMILES String

Cc1cc(C(F)(F)F)c(C(=O)O)cc1C(F)(F)F

Names & Synonyms

4-Methyl-2,5-bis(trifluoromethyl)benzoicacid
External Identifiers
MFCD27986831AKOS027371458JS-5123CS-0448160

Catalog Overview

4-Methyl-2,5-bis(trifluoromethyl)benzoic acid, with CAS 1706436-17-0 and molecular formula C10H6F6O2, is an organic compound featuring a benzoic acid core substituted with a methyl group at position 4 and two trifluoromethyl groups at positions 2 and 5. Its molecular weight is approximately 272.14 g/mol. This compound belongs to the class of fluorinated aromatic carboxylic acids, which are often explored in medicinal chemistry and materials science due to the unique electronic and steric properties conferred by trifluoromethyl groups. It is supplied for research use only.

Use Context

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

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline solid or powder

Physical State

Solid

Melting Point

200.0 °C

Boiling Point

320.0 °C

Density

1.5 g/cm³

Water Solubility

Poorly soluble

Flash Point

280.0 °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. Avoid inhalation, ingestion, and skin contact. 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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