(2,3,4,5,6-Pentachlorophenyl) propanoate

Base Information

• Chemical Name: (2,3,4,5,6-Pentachlorophenyl) propanoate
• CAS No.: 5435-61-0
• Molecular Formula: C9H5Cl5O2
• Molecular Weight: 322.3998
• NSC Number: 21478
• DSSTox Substance ID: DTXSID70281384
• Wikidata: Q82015294
• Mol file: 5435-61-0.mol

Synonyms:5435-61-0;(2,3,4,5,6-pentachlorophenyl) propanoate;NSC21478;SCHEMBL2885833;DTXSID70281384;NSC 21478;NSC-21478

Chemical Property of (2,3,4,5,6-Pentachlorophenyl) propanoate

Chemical Property:

• Vapor Pressure: 4.06E-06mmHg at 25°C
• Boiling Point: 384.5°Cat760mmHg
• Flash Point: 158.8°C
• Density: 1.585g/cm³
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 321.870268
• Heavy Atom Count: 16
• Complexity: 246

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl

Technology Process of (2,3,4,5,6-Pentachlorophenyl) propanoate

There total 4 articles about (2,3,4,5,6-Pentachlorophenyl) propanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

Pentachlorophenol (87-86-5,67471-28-7) + propionyl chloride (79-03-8) → Pentachlorphenyl-propionat (5435-61-0)

Guidance literature:

With pyridine;

Reference yield:

2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one (599-52-0) + propionyl chloride (79-03-8) → Pentachlorphenyl-propionat (5435-61-0)

Guidance literature:

With carbon disulfide; aluminium trichloride;

Reference yield:

Pentachlorophenol (87-86-5,67471-28-7) + propionic acid anhydride (123-62-6) → Pentachlorphenyl-propionat (5435-61-0)

Guidance literature:

Entfernen der entstehenden Propionsaeure;

upstream raw materials:

Pentachlorophenol

propionyl chloride

2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one

propionic acid anhydride