Pentachlorophenyl acrylate

Base Information

• Chemical Name: Pentachlorophenyl acrylate
• CAS No.: 4513-43-3
• Molecular Formula: C9H3Cl5O2
• Molecular Weight: 320.387
• Hs Code.: 2916129000
• DSSTox Substance ID: DTXSID40436561
• Nikkaji Number: J799.778G
• Wikidata: Q82251847
• Mol file: 4513-43-3.mol

Synonyms:PENTACHLOROPHENYL ACRYLATE;4513-43-3;(2,3,4,5,6-pentachlorophenyl) Prop-2-enoate;perchlorophenyl acrylate;SCHEMBL460577;DTXSID40436561;Acrylic acid pentachlorophenyl ester;FT-0733145

Chemical Property of Pentachlorophenyl acrylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 80-81oC
• Boiling Point: 399.62oC at 760 mmHg
• Flash Point: 168.649oC
• PSA: 26.30000
• Density: 1.615g/cm3
• LogP: 5.04500
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 319.854618
• Heavy Atom Count: 16
• Complexity: 269

Purity/Quality:

98%min ^*data from raw suppliers

PENTACHLOROPHENYL ACRYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Pentachlorophenyl acrylate

There total 3 articles about Pentachlorophenyl acrylate 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: 70.0%

sodium pentachlorphenate (131-52-2) → pentachlorophenyl acrylate (4513-43-3)

Guidance literature:

With acryloyl chloride; In ethyl acetate; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1039/b716127a

Reference yield:

Pentachlorophenol (87-86-5,67471-28-7) + acryloyl chloride (814-68-6,25189-84-8) → pentachlorophenyl acrylate (4513-43-3)

Guidance literature:

With N,N-(di-n-butyl)butyramide;

Reference yield:

→ pentachlorophenyl acrylate (4513-43-3)

Guidance literature:

Acryloylchlorid, Pentachlorphenol;

upstream raw materials:

Pentachlorophenol

acryloyl chloride

sodium pentachlorphenate

Refernces