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4-Bromo-2-methoxy-3-(trifluoromethyl)benzoic acid

CAS 2383654-59-7Formula C9H6BrF3O3MW 299.04PubChem 163338218

4-Bromo-2-methoxy-3-(trifluoromethyl)benzoic acid is a halogenated and methoxylated benzoic acid derivative, serving as a key building block in synthetic organic chemistry for the development of novel compounds.

Loading RDKit molecule structure...
InChIKey: NLTHVLLVOXTFIT-UHFFFAOYSA-NC9H6BrF3O3 | MW 299.04

Chemical Identity

Molecular Formula

C9H6BrF3O3

Molecular Weight

299.04 g/mol

Exact Mass

297.94524

PubChem CID

163338218

SMILES String

COc1c(C(=O)O)ccc(Br)c1C(F)(F)F

External Identifiers
MFCD34474614

Catalog Overview

4-Bromo-2-methoxy-3-(trifluoromethyl)benzoic acid is an organic compound featuring a benzoic acid core substituted with a bromine atom, a methoxy group, and a trifluoromethyl group. This specific substitution pattern renders it a valuable intermediate in synthetic organic chemistry, particularly for the construction of complex molecules relevant to pharmaceutical and agrochemical research. The trifluoromethyl group can impart enhanced lipophilicity and metabolic stability, while the bromine atom offers a versatile site for further functionalization through various cross-coupling reactions.

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 to off-white crystalline powder

Physical State

Solid

Melting Point

140.0 °C

Boiling Point

305.0 °C

Density

1.7 g/cm³

Water Solubility

Slightly soluble

Flash Point

160.0 °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) in a well-ventilated area or fume hood. Avoid inhalation, ingestion, and direct skin or eye contact. Always consult the Safety Data Sheet (SDS) for comprehensive hazard information and safe handling protocols. Store in a cool, dry place, segregated from incompatible materials.

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