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2-Methoxy-4,6-bis(trifluoromethyl)benzoic acid

CAS 180134-15-0Formula C10H6F6O3MW 288.14PubChem 2741287

2-Methoxy-4,6-bis(trifluoromethyl)benzoic acid is a fluorinated benzoic acid derivative, primarily utilized as a research chemical and synthetic building block.

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

Chemical Identity

Molecular Formula

C10H6F6O3

Molecular Weight

288.14 g/mol

Exact Mass

288.022113

PubChem CID

2741287

SMILES String

COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)O

Names & Synonyms

2,4-BIS(TRIFLUOROMETHYL)-6-METHOXYBENZOIC ACIDBenzoic acid, 2-methoxy-4,6-bis(trifluoromethyl)-C10H6F6O36-Methoxy-2,4-bis(trifluoromethyl)benzoic acid2-METHOXY-4,6-DI(TRIFLUOROMETHYL)BENZOIC ACID
Show all synonyms
2-Methoxy-4,6-ditrifluoromethylbenzoic acidMaybridge1_007918HMS563P20CL80992-methoxy-4,6-bis(trifluoromethyl)benzoicacid2-methoxy-4,6-bis(trifluoromethy)benzoic acid2,4-Bis(trifluoromethyl)-6-methoxy-benzoic acidF0656822-(methyloxy)-4,6-bis(trifluoromethyl)benzoic acid4,6-DI(TRIFLUOROMETHYL)-2-METHOXYBENZOIC ACID
External Identifiers
MFCD00728738SCHEMBL420816SCHEMBL31258876DTXSID20372418CCG-40952SBB052677AKOS005255680TS-01042DB-005850ST50949557SR-01000631059-1

Catalog Overview

2-Methoxy-4,6-bis(trifluoromethyl)benzoic acid, with CAS 180134-15-0 and molecular formula C10H6F6O3, is a chemical compound featuring a benzoic acid core substituted with a methoxy group and two trifluoromethyl groups. This structure makes it a valuable reagent in organic synthesis, particularly for the introduction of fluorinated aromatic moieties into more complex molecules. Its unique substitution pattern may also be of interest in medicinal chemistry research for developing novel compounds with altered physicochemical properties.

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

Physical State

solid

Melting Point

150.0 °C

Boiling Point

300.0 °C

Density

1.48 g/cm³

Water Solubility

6.31 × 10⁻⁴ mol/L

Flash Point

85.8 °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 2-Methoxy-4,6-bis(trifluoromethyl)benzoic acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Avoid inhalation, ingestion, and skin contact. Refer to the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures. Store in a cool, dry place, away from incompatible materials.

Related Products / Graph Discovery

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

Related CAS / Similar Products

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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: GHS05Shipment review: Shipment details require review before fulfillment.

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

Catalog navigation

Related catalog entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

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