Chemical Identity
Molecular Formula
C8H5F4NO2
Molecular Weight
223.12 g/mol
Exact Mass
223.025641
PubChem CID
134649944
SMILES String
Nc1cc(C(=O)O)c(F)c(C(F)(F)F)c1
Names & Synonyms
External Identifiers
Catalog Overview
5-Amino-2-fluoro-3-(trifluoromethyl)benzoic acid (CAS 874838-43-4) is an organic compound featuring a benzoic acid core substituted with an amino group, a fluorine atom, and a trifluoromethyl group. Its molecular formula is C8H5F4NO2 and its molecular weight is 223. 12 g/mol. This compound serves as a versatile building block in synthetic chemistry, leveraging the reactivity of its carboxylic acid, amino, and halogen functionalities.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
5-Amino-2-fluoro-3-(trifluoromethyl)benzoic acid (CAS 874838-43-4) is an organic compound featuring a benzoic acid core substituted with an amino group, a fluorine atom, and a trifluoromethyl group. Its molecular formula is C8H5F4NO2 and its molecular weight is 223.12 g/mol. This compound serves as a versatile building block in synthetic chemistry, leveraging the reactivity of its carboxylic acid, amino, and halogen functionalities. The trifluoromethyl group often imparts unique electronic and steric properties, which can be beneficial in drug discovery and material science applications. It is particularly valuable for synthesizing novel compounds with enhanced biological activity or specific physical properties.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White crystalline powder
Physical State
Solid
Melting Point
170.0 °C
Boiling Point
272.0 °C
Density
1.5 g/cm³
Water Solubility
0.0107 mol/L
Flash Point
116.4 °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 5-Amino-2-fluoro-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.
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.