2,3,4,5-Tetrachlorophenol

Base Information

• Chemical Name: 2,3,4,5-Tetrachlorophenol
• CAS No.: 4901-51-3
• Molecular Formula: C6H2Cl4O
• Molecular Weight: 231.893
• Hs Code.: 2908190090
• European Community (EC) Number: 225-531-7
• UN Number: 2020
• UNII: D2UW5NHW9J
• DSSTox Substance ID: DTXSID0022220
• Nikkaji Number: J1.833C
• Wikidata: Q26840906
• Metabolomics Workbench ID: 74812
• ChEMBL ID: CHEMBL1528479
• Mol file: 4901-51-3.mol

Synonyms:2,3,4,5-tetrachlorophenate;2,3,4,5-tetrachlorophenol

Chemical Property of 2,3,4,5-Tetrachlorophenol

Chemical Property:

• Melting Point: 69-70oC
• Refractive Index: 1.5133 (estimate)
• Boiling Point: 289.4°Cat760mmHg
• PKA: 6.15±0.28(Predicted)
• Flash Point: 128.8°C
• PSA: 20.23000
• Density: 1.709g/cm³
• LogP: 4.00580
• Storage Temp.: APPROX 4°C
• Water Solubility.: 166mg/L(25 oC)
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 231.883025
• Heavy Atom Count: 11
• Complexity: 143
• Transport DOT Label: Poison

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): T,N,Xn,F
• Hazard Codes: T,N,Xn,F
• Statements: 23/24/25-39/23/24/25-67-65-50/53-38-11-41-37/38-25
• Safety Statements: 36/37-45-62-61-60-33-29-16-36/39-26-25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Chlorophenols
• Canonical SMILES: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O

Technology Process of 2,3,4,5-Tetrachlorophenol

There total 26 articles about 2,3,4,5-Tetrachlorophenol 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: 58.0%

2-carboxy-3,4,5,6-tetrachlorobenzenediazonium fluoroborate → 2,3,4,5-tetrachlorophenol (4901-51-3)

Guidance literature:

With water; In acetonitrile; for 0.5h; Ambient temperature;

DOI:10.1016/0040-4020(95)00115-O

Reference yield: 38.0%

2-carboxy-3,4,5,6-tetrachlorobenzendiazonium chloride → 2,3,4,5-tetrachlorophenol (4901-51-3)

Guidance literature:

With water; In acetonitrile; for 0.5h; Ambient temperature;

DOI:10.1016/0040-4020(95)00115-O

Reference yield: 16.0%

trimethylene oxide (503-30-0) + Tetrachlor-1,2-benzochinondiazid (31680-14-5) → 2,3,4,5-tetrachlorophenol (4901-51-3) + 2,3-(Tetrachlorbenzo)-1,4,8,12-tetraoxapentadecen (133752-76-8)

Guidance literature:

at 20 ℃; Irradiation;

upstream raw materials:

pentachlorobenzene

sodium methylate

2,3,4,5-tetrachloroaniline

Tetrachlor-1,2-benzochinondiazid

Downstream raw materials:

Benzoylamino-acetic acid 2,3,4,5-tetrachloro-phenyl ester

2-bromo-3,4,5,6-tetrachlorophenol

1,2,3,4,6,8-hexachlorodibenzofuran

1,2,3,4,8,9-hexachlorodibenzofuran

Refernces

• 1、 -. "SYNTHESIS OF CLAY-TEMPLATED SUBNANO-SIZED ZERO VALENT IRON (ZVI) PARTICLES, CLAYS CONTAINING SAME, AND USE OF BOTH IN CONTAMINANT TREATMENTS". Page/Page column 7-8. . Retrieved 2011/06/23.
• 2、 Liljelind, Per,Unsworth, John,Maaskant, Onno,Marklund, Stellan. "Removal of dioxins and related aromatic hydrocarbons from flue gas streams by adsorption and catalytic destruction". . p. 615 - 623. Retrieved 2007/10/03.