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2-Bromo-6-methoxy-4-(trifluoromethyl)benzoic acid

CAS 1236303-02-8Formula C9H6BrF3O3MW 299.04PubChem 59438423

2-Bromo-6-methoxy-4-(trifluoromethyl)benzoic acid is a research chemical featuring a complex aromatic structure with bromo, methoxy, and trifluoromethyl substituents, making it a versatile building block for organic synthesis.

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

Chemical Identity

Molecular Formula

C9H6BrF3O3

Molecular Weight

299.04 g/mol

Exact Mass

297.94524

PubChem CID

59438423

SMILES String

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

Names & Synonyms

967-001-42-bromo-6-methoxy-4-trifluoromethyl-benzoic acid
External Identifiers
RefChem:467055SCHEMBL422420AT52515EN300-11723499

Catalog Overview

2-Bromo-6-methoxy-4-(trifluoromethyl)benzoic acid is an organic compound characterized by a benzene ring substituted with a bromine atom, a methoxy group, a trifluoromethyl group, and a carboxylic acid group. Its molecular formula is C9H6BrF3O3 and its molecular weight is approximately 299. 04 g/mol. This compound's intricate substitution pattern makes it a valuable intermediate in the synthesis of more complex molecules, particularly in medicinal chemistry and agrochemical research, where halogenated and trifluoromethylated aromatic systems are often desired for their unique electronic and steric properties.

Use Context

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

2-Bromo-6-methoxy-4-(trifluoromethyl)benzoic acid is an organic compound characterized by a benzene ring substituted with a bromine atom, a methoxy group, a trifluoromethyl group, and a carboxylic acid group. Its molecular formula is C9H6BrF3O3 and its molecular weight is approximately 299.04 g/mol. This compound's intricate substitution pattern makes it a valuable intermediate in the synthesis of more complex molecules, particularly in medicinal chemistry and agrochemical research, where halogenated and trifluoromethylated aromatic systems are often desired for their unique electronic and steric properties. It is intended for Research Use Only (RUO).

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white solid

Physical State

solid

Melting Point

155.0 °C

Boiling Point

309.6 °C

Density

1.61 g/cm³

Water Solubility

2.2 × 10⁻³ mol/L

Flash Point

121.7 °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 immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for comprehensive safety information before use. This product is for research use only and not for human or animal therapeutic or diagnostic use.

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