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

CAS 1208076-77-0Formula C8H5BrF3NO2MW 284.03PubChem 50998138

4-Amino-5-bromo-2-(trifluoromethyl)benzoic acid is an organic compound featuring an amino group, a bromine atom, and a trifluoromethyl group attached to a benzoic acid core. With a molecular formula of C8H5BrF3NO2 and a molecular weight of 284.03, this compound serves as a versatile chemical building block for research and development in synthetic chemistry.

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

Chemical Identity

Molecular Formula

C8H5BrF3NO2

Molecular Weight

284.03 g/mol

Exact Mass

282.94558

PubChem CID

50998138

SMILES String

Nc1cc(C(F)(F)F)c(C(=O)O)cc1Br

Names & Synonyms

4-Amino-5-bromo-2-(trifluoromethyl)benzoicacidH39916F038308
External Identifiers
MFCD12026304AKOS027308463FS-6191

Catalog Overview

4-Amino-5-bromo-2-(trifluoromethyl)benzoic acid, identified by CAS 1208076-77-0 and PubChem CID 50998138, is a substituted benzoic acid derivative. Its structure incorporates an amino group (-NH2), a bromine atom (-Br), and a trifluoromethyl group (-CF3) on a benzene ring, alongside a carboxylic acid (-COOH) functionality. This combination of functional groups makes it a valuable intermediate in the synthesis of complex organic molecules, including potential pharmaceutical candidates, agrochemicals, and specialty materials. Researchers may utilize its reactivity for various coupling reactions, amide formations, or further...

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Read more catalog context

4-Amino-5-bromo-2-(trifluoromethyl)benzoic acid, identified by CAS 1208076-77-0 and PubChem CID 50998138, is a substituted benzoic acid derivative. Its structure incorporates an amino group (-NH2), a bromine atom (-Br), and a trifluoromethyl group (-CF3) on a benzene ring, alongside a carboxylic acid (-COOH) functionality. This combination of functional groups makes it a valuable intermediate in the synthesis of complex organic molecules, including potential pharmaceutical candidates, agrochemicals, and specialty materials. Researchers may utilize its reactivity for various coupling reactions, amide formations, or further derivatizations in the pursuit of novel compounds for research applications.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

200.0 °C

Boiling Point

350.0 °C

Density

1.6 g/cm³

Water Solubility

Poorly soluble

Flash Point

230.0 °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 4-Amino-5-bromo-2-(trifluoromethyl)benzoic acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat. Avoid inhalation of dust or vapors, and prevent skin and eye contact. 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.

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