23399-90-8

Basic information

• Product Name: 2,4,6-TRICHLOROPHENOL ACETATE
• Synonyms: 2,4,6-Trichlorfenylester kyseliny octove;2,4,6-trichlorfenylesterkyselinyoctove;2,4,6-trichloro-phenoacetate;2,4,6-trichlorophenyl-acetate;Phenol, 2,4,6-trichloro-, acetate;Phenol,2,4,6-trichloro-,acetate;Nsc21474
• CAS NO: 23399-90-8
• Molecular Formula: C₈H₅Cl₃O₂
• Molecular Weight: 239.4831
• Mol File: 23399-90-8.mol
• Article Data: 4

Chemical Properties

• Melting Point: 49-51 °C
• Boiling Point: 341.55°C (rough estimate)
• Flash Point: 129.5 °C
• Appearance: /
• Density: 1.5422 (rough estimate)
• Vapor Pressure: 0.00102mmHg at 25°C
• Refractive Index: 1.4521 (estimate)
• CAS DataBase Reference: 2,4,6-TRICHLOROPHENOL ACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,6-TRICHLOROPHENOL ACETATE(23399-90-8)
• EPA Substance Registry System: 2,4,6-TRICHLOROPHENOL ACETATE(23399-90-8)

Safety Data

• Hazardous Substances Data: 23399-90-8(Hazardous Substances Data)

Usage

Uses

Fungicide, especially on cotton seed.

Safety Profile

Moderately toxic by ingestion. Askin and eye irritant. When heated to decomposition itemits toxic fumes of Clí.

InChI:InChI=1/C8H5Cl3O2/c1-4(12)13-8-6(10)2-5(9)3-7(8)11/h2-3H,1H3

Upstream product

• 75-36-5 acetyl chloride 
• 88-06-2 2,4,6-Trichlorophenol 
• 60-29-7 diethyl ether 
• 2678-54-8 ketene diethyl acetal 
• 108-24-7 acetic anhydride 

Downstream Products

• 16197-93-6 (S)-1-phenylethyl acetate 
• 16197-92-5 (R)-1-phenethyl acetate 

Relevant articles and documents

Binding Affinities and Spectroscopy of Complexes Formed by Polysiloxanes with Aniline and Chlorophenol Acetates

Abstract: The theoretical binding energies of the complexes formed by polysiloxanes with aniline and chlorophenol acetates were calculated at B3LYP/6-31G(d, p) level after the basis set superposition error (BSSE) based on B3LYP/6-31G(d) optimized geometri

4-(N,N -dimethylamino)pyridine hydrochloride as a recyclable catalyst for acylation of inert alcohols: Substrate scope and reaction mechanism

4-(N,N-Dimethylamino)pyridine hydrochloride (DMAP·HCl), a DMAP salt with the simplest structure, was used as a recyclable catalyst for the acylation of inert alcohols and phenols under base-free conditions. The reaction mechanism was investigated in detail for the first time; DMAP·HCl and the acylating reagent directly formed N-acyl-4-(N′,N′-dimethylamino) pyridine chloride, which was attacked by the nucleophilic substrate to form a transient intermediate that released the acylation product and regenerated the DMAP·HCl catalyst.