Active Chemical RecordCatalog PreviewCatalog ready

4-amino-3-chloro-5-(trifluoromethyl)benzoic Acid

CAS 95656-52-3Formula C8H5ClF3NO2MW 239.58PubChem 4643549

This compound is a functionalized benzoic acid derivative containing an amino group, a chlorine atom, and a trifluoromethyl group. It serves as a versatile building block in organic synthesis, particularly for creating more complex molecules in pharmaceutical and agrochemical research. For Research Use Only.

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

Chemical Identity

Molecular Formula

C8H5ClF3NO2

Molecular Weight

239.58 g/mol

Exact Mass

238.996091

PubChem CID

4643549

SMILES String

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

Names & Synonyms

4-AMINO-3-CHLORO-5-TRIFLUOROMETHYL-BENZOIC ACID4-Amino-3-chloro-5-(trifluoromethyl);benzoic acid4-Amino-3-chloro-5-(trifluoromethyl)benzoicacidBenzoic acid, 4-amino-3-chloro-5-(trifluoromethyl)-4-Amino-3-chloro-5-trifluoromethylbenzoic acid
Show all synonyms
W188774-amino-3-chloro-5-trifluoromethyl benzoic acid
External Identifiers
DTXSID40405171RefChem:289914DTXCID10356025MFCD03426725SCHEMBL3306839AKOS007930812SB81201AS-68868SY296900CS-0314390

Catalog Overview

4-amino-3-chloro-5-(trifluoromethyl)benzoic Acid (CAS 95656-52-3) is an organic compound characterized by a benzoic acid core substituted with an amino group at position 4, a chlorine atom at position 3, and a trifluoromethyl group at position 5. With a molecular formula of C8H5ClF3NO2 and a molecular weight of 239. 58 g/mol, this compound is classified as a functionalized intermediate. Its distinct chemical structure, featuring both electron-donating (amino) and electron-withdrawing (chloro, trifluoromethyl) groups, makes it a valuable reagent for various synthetic transformations.

Use Context

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

4-amino-3-chloro-5-(trifluoromethyl)benzoic Acid (CAS 95656-52-3) is an organic compound characterized by a benzoic acid core substituted with an amino group at position 4, a chlorine atom at position 3, and a trifluoromethyl group at position 5. With a molecular formula of C8H5ClF3NO2 and a molecular weight of 239.58 g/mol, this compound is classified as a functionalized intermediate. Its distinct chemical structure, featuring both electron-donating (amino) and electron-withdrawing (chloro, trifluoromethyl) groups, makes it a valuable reagent for various synthetic transformations. Researchers utilize this compound as a key intermediate in the synthesis of novel pharmaceutical candidates, agrochemicals, and other fine chemicals, leveraging its reactive carboxylic acid and amino functionalities, as well as the steric and electronic properties conferred by the halogen and trifluoromethyl substituents. It is intended for Research Use Only (RUO).

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline solid

Physical State

Solid

Melting Point

170.0 °C

Boiling Point

299.0 °C

Density

1.53 g/cm³

Water Solubility

Slightly soluble

Flash Point

122.9 °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 4-amino-3-chloro-5-(trifluoromethyl)benzoic Acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment (PPE), including safety glasses, 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.