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

CAS 50419-85-7Formula C8H5BrF3NO2MW 284.03PubChem 20325559

A bromo- and trifluoromethyl-substituted aminobenzoic acid derivative, 2-Amino-5-bromo-3-(trifluoromethyl)benzoic acid (CAS 50419-85-7) is a research chemical with a molecular formula of C8H5BrF3NO2 and a molecular weight of 284.03. It is primarily used as a building block in synthetic organic chemistry, particularly in the synthesis of more complex "research-oriented" or "research-oriented" compounds for pharmaceutical research and development.

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

Chemical Identity

Molecular Formula

C8H5BrF3NO2

Molecular Weight

284.03 g/mol

Exact Mass

282.94558

PubChem CID

20325559

SMILES String

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

Names & Synonyms

810-881-0DQEHUKWTOSTBGZ-UHFFFAOYSA-N2-amino-5-bromo-3-(trifluoromethyl)benzoicacidG37821Z1509726133
External Identifiers
RefChem:464498MFCD19441382SCHEMBL10215345SCHEMBL30333121ACA41985AKOS027346338PS-11256DB-134559EN300-7492110

Catalog Overview

2-Amino-5-bromo-3-(trifluoromethyl)benzoic acid, identified by CAS 50419-85-7, is an organic compound featuring an aminobenzoic acid core substituted with a bromine atom at position 5 and a trifluoromethyl group at position 3. Its molecular formula is C8H5BrF3NO2, and it has a molecular weight of 284. 03 g/mol. This compound is characterized by the presence of both electron-withdrawing (trifluoromethyl, bromine) and electron-donating (amino) groups, along with a carboxylic acid functionality, making it a versatile intermediate in various synthetic pathways.

Use Context

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

2-Amino-5-bromo-3-(trifluoromethyl)benzoic acid, identified by CAS 50419-85-7, is an organic compound featuring an aminobenzoic acid core substituted with a bromine atom at position 5 and a trifluoromethyl group at position 3. Its molecular formula is C8H5BrF3NO2, and it has a molecular weight of 284.03 g/mol. This compound is characterized by the presence of both electron-withdrawing (trifluoromethyl, bromine) and electron-donating (amino) groups, along with a carboxylic acid functionality, making it a versatile intermediate in various synthetic pathways. It belongs to the "druglike_bioactive_like" structural bucket, suggesting its potential utility in medicinal chemistry for the construction of novel pharmaceutical candidates or as a scaffold for lead synthetic exploration studies. Researchers utilize this compound for its specific reactivity profiles, enabling the introduction of bromo, trifluoromethyl, amino, and carboxyl functionalities into target molecules.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white solid

Physical State

solid

Melting Point

155.1 °C

Boiling Point

323.5 °C

Density

1.7 g/cm³

Water Solubility

3.86 × 10⁻³ mol/L

Flash Point

120.5 °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-5-bromo-3-(trifluoromethyl)benzoic acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat, to prevent skin and eye contact. Avoid inhalation of dust or vapors. 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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