2,3,4,5,6-Pentachlorobenzenemethanol

Base Information

• Chemical Name: 2,3,4,5,6-Pentachlorobenzenemethanol
• CAS No.: 16022-69-8
• Molecular Formula: C7H3 Cl5 O
• Molecular Weight: 280.365
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID8075095
• Nikkaji Number: J9.022K
• Wikidata: Q82003133
• Metabolomics Workbench ID: 49051
• Mol file: 16022-69-8.mol

Synonyms:Blastin;16022-69-8;(2,3,4,5,6-Pentachlorophenyl)methanol;2,3,4,5,6-Pentachlorobenzenemethanol;PCBA;PENTACHLOROBENZYL ALCOHOL;(pentachlorophenyl)methanol;2,3,4,5,6-Pentachlorobenzyl Alcohol;Benzenemethanol, 2,3,4,5,6-pentachloro-;Benzyl alcohol, 2,3,4,5,6-pentachloro-;SCHEMBL306109;DTXSID8075095;2,3,4,5,6-Pentachloro-Benzenemethanol;2,3,4,5,6-Pentachloro-Benzyl alcohol;(2,3,4,5,6-pentachloro-phenyl)-methanol;(2,3,4,5,6-Pentachlorophenyl)methanol #;2,3,4,5,6-Pentachlorobenzenemethanol, 9CI

Chemical Property of 2,3,4,5,6-Pentachlorobenzenemethanol

Chemical Property:

• Vapor Pressure: 9.4E-06mmHg at 25°C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 358.2°Cat760mmHg
• Flash Point: 170.4°C
• PSA: 20.23000
• Density: 1.719g/cm³
• LogP: 4.44590
• Water Solubility.: 0.2mg/L(25 oC)
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 279.859703
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O

Technology Process of 2,3,4,5,6-Pentachlorobenzenemethanol

There total 5 articles about 2,3,4,5,6-Pentachlorobenzenemethanol 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: 91.0%

→ 2,3,4,5,6-pentachlorobenzylalcohol (16022-69-8)

Guidance literature:

Reference yield:

α,α,2,3,4,5,6-pentachlorotoluene (2136-78-9) → 2,3,4,5,6-pentachlorobenzylalcohol (16022-69-8)

Guidance literature:

With ethanol; potassium acetate; at 200 ℃;

Reference yield:

pentachlorotoluene (877-11-2) → 2,3,4,5,6-pentachlorobenzylalcohol (16022-69-8)

Guidance literature:

Multistep reaction; (i) liq. SO₃, (ii) H₂O;

DOI:10.1021/ja00743a046

upstream raw materials:

acetic acid-(2,3,4,5,6-pentachloro-benzyl ester)

α,α,2,3,4,5,6-pentachlorotoluene

pentachlorotoluene

formaldehyd

Downstream raw materials:

C₆Cl₅CHNCH₂C₆H₅

2,3,4,5,6-pentachlorobenzaldehyde

3-Methyl-2-p-tolyl-butyric acid pentachlorophenylmethyl ester

1,2,3,4,5-Pentachloro-6-(2-isopropyl-4,6-dinitro-phenoxymethyl)-benzene

Refernces

• 1、 -. "4-Nitro-2-trichloromethylphenylsulfenamides". . . Retrieved 2008/06/13.
• 2、 -. "Polyhalobenzylic disulfooxonium compounds". . . Retrieved 2008/06/13.