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

CAS 1476759-55-3Formula C8H5ClF3NO2MW 239.58PubChem 117921364

This is an aromatic benzoic acid derivative featuring an amino group, a chlorine atom, and a trifluoromethyl group. It is primarily used as a functionalized intermediate in organic synthesis for research purposes.

Loading RDKit molecule structure...
InChIKey: NPFXBRDBYZBXRZ-UHFFFAOYSA-NC8H5ClF3NO2 | MW 239.58

Chemical Identity

Molecular Formula

C8H5ClF3NO2

Molecular Weight

239.58 g/mol

Exact Mass

238.996091

PubChem CID

117921364

SMILES String

Nc1cc(Cl)c(C(F)(F)F)cc1C(=O)O

Names & Synonyms

2-Amino-4-chloro-5-trifluoromethyl-benzoic acid2-Amino-4-chloro-5-(trifluoromethyl)benzoicacid
External Identifiers
SCHEMBL16528992SB81042

Catalog Overview

2-Amino-4-chloro-5-(trifluoromethyl)benzoic acid is an organic compound characterized by a benzoic acid core substituted with an amino group at position 2, a chlorine atom at position 4, and a trifluoromethyl group at position 5. Its molecular formula is C8H5ClF3NO2 and its molecular weight is approximately 239. 58 g/mol. This compound serves as a versatile building block in synthetic chemistry, particularly in the development of more complex molecules.

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Read more catalog context

2-Amino-4-chloro-5-(trifluoromethyl)benzoic acid is an organic compound characterized by a benzoic acid core substituted with an amino group at position 2, a chlorine atom at position 4, and a trifluoromethyl group at position 5. Its molecular formula is C8H5ClF3NO2 and its molecular weight is approximately 239.58 g/mol. This compound serves as a versatile building block in synthetic chemistry, particularly in the development of more complex molecules. Its trifluoromethyl group can impart unique electronic and steric properties, making it valuable in the synthesis of pharmaceuticals, agrochemicals, and materials for research and development.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

185.0 °C

Boiling Point

350.0 °C

Density

1.65 g/cm³

Water Solubility

Slightly soluble

Flash Point

200.0 °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 with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. 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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