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2-Amino-4-bromo-3-fluoro-5-(trifluoromethyl)benzoic acid

CAS 2134633-62-6Formula C8H4BrF4NO2MW 302.02PubChem 164568827

This compound is a halogenated benzoic acid derivative featuring an amino group, a carboxyl group, and trifluoromethyl, bromo, and fluoro substituents on a benzene ring. It is primarily intended for research and development applications as a chemical intermediate. For Research Use Only (RUO).

Loading RDKit molecule structure...
InChIKey: PKPFCLGECKRINR-UHFFFAOYSA-NC8H4BrF4NO2 | MW 302.02

Chemical Identity

Molecular Formula

C8H4BrF4NO2

Molecular Weight

302.02 g/mol

Exact Mass

300.93615

PubChem CID

164568827

SMILES String

Nc1c(C(=O)O)cc(C(F)(F)F)c(Br)c1F

Names & Synonyms

F89105F874158
External Identifiers
MFCD34645939SCHEMBL24616007PB48444PS-16194SY321668DB-376727

Catalog Overview

2-Amino-4-bromo-3-fluoro-5-(trifluoromethyl)benzoic acid, identified by CAS 2134633-62-6, is an organic compound with the molecular formula C8H4BrF4NO2 and a molecular weight of 302.02 g/mol. Its structure incorporates a benzene ring substituted with an amino group (-NH2), a carboxylic acid group (-COOH), a bromine atom, a fluorine atom, and a trifluoromethyl group (-CF3). This complex halogenation and functional group arrangement make it a potential building block or intermediate in the synthesis of more complex molecules, particularly within medicinal chemistry or agrochemical research, where similar "research-oriented" or...

Use Context

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Read more catalog context

2-Amino-4-bromo-3-fluoro-5-(trifluoromethyl)benzoic acid, identified by CAS 2134633-62-6, is an organic compound with the molecular formula C8H4BrF4NO2 and a molecular weight of 302.02 g/mol. Its structure incorporates a benzene ring substituted with an amino group (-NH2), a carboxylic acid group (-COOH), a bromine atom, a fluorine atom, and a trifluoromethyl group (-CF3). This complex halogenation and functional group arrangement make it a potential building block or intermediate in the synthesis of more complex molecules, particularly within medicinal chemistry or agrochemical research, where similar "research-oriented" or "research-oriented" scaffolds are often explored. It is supplied for Research Use Only (RUO).

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

175.0 °C

Boiling Point

350.0 °C

Density

1.8 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-Amino-4-bromo-3-fluoro-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, 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.

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