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2-Bromo-5-cyano-4-(trifluoromethyl)benzoic acid

CAS 1805499-89-1Formula C9H3BrF3NO2MW 294.02PubChem 119017172

2-Bromo-5-cyano-4-(trifluoromethyl)benzoic acid is an organic compound featuring a brominated, cyanated, and trifluoromethylated benzoic acid core. With a molecular formula of C9H3BrF3NO2 and a molecular weight of 294.02, it is primarily intended for research and development applications.

Loading RDKit molecule structure...
InChIKey: SBYRVXYRNXWVBA-UHFFFAOYSA-NC9H3BrF3NO2 | MW 294.02

Chemical Identity

Molecular Formula

C9H3BrF3NO2

Molecular Weight

294.02 g/mol

Exact Mass

292.92993

PubChem CID

119017172

SMILES String

N#Cc1cc(C(=O)O)c(Br)cc1C(F)(F)F

Names & Synonyms

G75926F554116
External Identifiers
SCHEMBL22833844

Catalog Overview

This chemical entity, 2-Bromo-5-cyano-4-(trifluoromethyl)benzoic acid, is characterized by a benzene ring substituted with a carboxylic acid group, a bromine atom, a cyano group, and a trifluoromethyl group. Its precise structure, identified by CAS 1805499-89-1 and InChIKey SBYRVXYRNXWVBA-UHFFFAOYSA-N, suggests its utility as a versatile building block in complex organic synthesis. The presence of multiple functional groups allows for diverse chemical transformations and derivatizations in various research contexts.

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 solid

Physical State

Solid

Melting Point

205.0 °C

Boiling Point

350.0 °C

Density

1.7 g/cm³

Water Solubility

Slightly 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 2-Bromo-5-cyano-4-(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. Refer to the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures. This product is for research use only and not for human or animal therapeutic or diagnostic use.

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