Pentachloroanisole

Base Information

• Chemical Name: Pentachloroanisole
• CAS No.: 1825-21-4
• Molecular Formula: C7H3 Cl5 O
• Molecular Weight: 280.365
• Hs Code.: 2909309090
• European Community (EC) Number: 625-770-0
• NSC Number: 141502
• UN Number: 2811
• UNII: 14D125MH3W
• DSSTox Substance ID: DTXSID2021103
• Nikkaji Number: J33.859A
• Wikidata: Q27251610
• ChEMBL ID: CHEMBL3182755
• Mol file: 1825-21-4.mol

Synonyms:pentachloroanisole

Chemical Property of Pentachloroanisole

Chemical Property:

• Vapor Pressure: 0.000557mmHg at 25°C
• Melting Point: 108-110℃
• Boiling Point: 321.5°Cat760mmHg
• Flash Point: 127.1°C
• PSA: 9.23000
• Density: 1.618g/cm³
• LogP: 4.96220
• Storage Temp.: 0-6°C
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 279.859703
• Heavy Atom Count: 13
• Complexity: 162
• Transport DOT Label: Poison

Purity/Quality:

99%, ^*data from raw suppliers

2,3,4,5,6-Pentachloroanisole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Anisoles
• Canonical SMILES: COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl

Technology Process of Pentachloroanisole

There total 17 articles about Pentachloroanisole 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: 74.0%

carbonic acid methyl ester-pentachlorophenyl ester (26456-79-1) → Pentachloroanisole (1825-21-4)

Guidance literature:

N,N,N',N'-tetrabutyl-N''-methylguanidine; at 140 ℃; for 1h;

DOI:10.1016/S0040-4020(01)89753-2

Reference yield: 55.0%

Quintozene (82-68-8) + sodium methylate (124-41-4) → Pentachloroanisole (1825-21-4)

Guidance literature:

In methanol; for 3h; Heating;

Reference yield:

hexachlorobenzene (118-74-1,67471-27-6) → Pentachlorophenol (87-86-5,67471-28-7) + Pentachloroanisole (1825-21-4)

Guidance literature:

With sodium methylate; at 180 ℃; im Rohr;

upstream raw materials:

diazomethane

Pentachlorophenol

tetrachloromethane

para-iodoanisole

Downstream raw materials:

methoxybenzene

4-chloromethoxybenzene

1-chloro-3-methoxy-benzene

2-Chloroanisole

Refernces

• 1、 Ikeda,Sapienza,Warr. "Disposition and metabolism of radiolabelled pentachloroanisole in rats and rabbits". . p. 1137 - 1146. Retrieved 1994.
• 2、 Barcelo, Gerard,Grenouillat, Denis,Senet, Jean-Pierre,Sennyey, Gerard. "Pentaalkylguanidines as etherification and esterification catalysts". . p. 1839 - 1848. Retrieved 2007/10/02.