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3,5-Bis(trifluoromethyl)-2-methoxybenzoic acid

CAS 197015-74-0Formula C10H6F6O3MW 288.14PubChem 10684743

3,5-Bis(trifluoromethyl)-2-methoxybenzoic acid is a fluorinated benzoic acid derivative, characterized by a methoxy group and two trifluoromethyl substituents on the benzene ring. It is primarily intended for research and development applications.

Loading RDKit molecule structure...
InChIKey: QXKHBZGPGPNUGZ-UHFFFAOYSA-NC10H6F6O3 | MW 288.14

Chemical Identity

Molecular Formula

C10H6F6O3

Molecular Weight

288.14 g/mol

Exact Mass

288.022113

PubChem CID

10684743

IUPAC Name

2-methoxy-3,5-bis(trifluoromethyl)benzoic acid

SMILES String

COc1c(C(=O)O)cc(C(F)(F)F)cc1C(F)(F)F

Names & Synonyms

Benzoic acid, 2-methoxy-3,5-bis(trifluoromethyl)-QXKHBZGPGPNUGZ-UHFFFAOYSA-NE93228
External Identifiers
SCHEMBL22114934MFCD27946889CS-0191167

Catalog Overview

This organic compound, 3,5-Bis(trifluoromethyl)-2-methoxybenzoic acid, features a benzoic acid core substituted with a methoxy group at position 2 and two trifluoromethyl groups at positions 3 and 5. Its molecular formula is C10H6F6O3 and its CAS number is 197015-74-0. The presence of multiple trifluoromethyl groups makes it a valuable building block in medicinal chemistry and materials science, where fluorine incorporation can influence physicochemical properties such as lipophilicity, metabolic stability, and binding affinity. This compound is suitable for various research-use-only applications.

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 powder

Physical State

solid

Melting Point

140.0 °C

Boiling Point

330.0 °C

Density

1.61 g/cm³

Water Solubility

sparingly 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 3,5-Bis(trifluoromethyl)-2-methoxybenzoic acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat. Avoid inhalation, ingestion, and skin contact. In case of exposure, refer to the Safety Data Sheet (SDS) for specific first-aid measures. Store in a cool, dry place, away from incompatible materials.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Similar products (text references)

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Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 291899GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.