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2-Amino-3-bromo-5-(trifluoromethyl)benzoic acid

CAS 1434631-44-3Formula C8H5BrF3NO2MW 284.03PubChem 117921583

2-Amino-3-bromo-5-(trifluoromethyl)benzoic acid is a halogenated aminobenzoic acid derivative, characterized by its trifluoromethyl and bromo substituents. It serves as a versatile building block in organic synthesis, particularly for the creation of complex molecules in pharmaceutical and agrochemical research.

Loading RDKit molecule structure...
InChIKey: JEYCNCNKTWYLBJ-UHFFFAOYSA-NC8H5BrF3NO2 | MW 284.03

Chemical Identity

Molecular Formula

C8H5BrF3NO2

Molecular Weight

284.03 g/mol

Exact Mass

282.94558

PubChem CID

117921583

SMILES String

Nc1c(Br)cc(C(F)(F)F)cc1C(=O)O

Names & Synonyms

2-amino-3-bromo-5-trifluoromethyl-benzoic acidWLZ3465F72440F869866A1-42111
External Identifiers
MFCD26960512SCHEMBL16529229SY359282DB-392540

Catalog Overview

2-Amino-3-bromo-5-(trifluoromethyl)benzoic acid, with CAS 1434631-44-3 and molecular formula C8H5BrF3NO2, is a synthetic organic compound. It features an amino group, a bromine atom, and a trifluoromethyl group attached to a benzoic acid core. This specific substitution pattern makes it a valuable intermediate for researchers engaged in the synthesis of novel compounds, including potential drug candidates and materials science applications, where precise structural modifications are crucial. Its "druglike_bioactive_like" structural classification suggests its relevance in medicinal chemistry.

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 solid

Physical State

Solid

Melting Point

170.0 °C

Boiling Point

350.0 °C

Density

1.75 g/cm³

Water Solubility

Slightly soluble

Flash Point

250.0 °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 2-Amino-3-bromo-5-(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 of dust or vapors, and prevent skin and eye contact. In case of contact, rinse thoroughly with water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed safety information before use.

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