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
External Identifiers
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
EstimatedEstimated / 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
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary 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.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Related products and analog discovery will be available as catalog graph data is expanded.