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

CAS 874838-43-4Formula C8H5F4NO2MW 223.12PubChem 134649944

5-Amino-2-fluoro-3-(trifluoromethyl)benzoic acid is a fluorinated benzoic acid derivative with an amino and a trifluoromethyl group. It is primarily used as a functionalized intermediate in organic synthesis, particularly for creating more complex molecules in pharmaceutical research and agrochemical development.

Loading RDKit molecule structure...
InChIKey: LNTWJGFKSAFNMM-UHFFFAOYSA-NC8H5F4NO2 | MW 223.12

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

Benzoic acid, 5-amino-2-fluoro-3-(trifluoromethyl)-
External Identifiers
SCHEMBL24566862DTXSID101237776EN300-9529672

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

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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

Estimated

Estimated / 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

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 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

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