2,4,5-Trichlorophenol

Base Information

• Chemical Name: 2,4,5-Trichlorophenol
• CAS No.: 95-95-4
• Deprecated CAS: 77001-45-7
• Molecular Formula: C6H3Cl3O
• Molecular Weight: 197.448
• Hs Code.: 2908.10
• European Community (EC) Number: 202-467-8
• ICSC Number: 0879
• NSC Number: 2266
• UN Number: 2020
• UNII: 32526637PN
• DSSTox Substance ID: DTXSID4024359
• Nikkaji Number: J3.574B
• Wikipedia: 2,4,5-Trichlorophenol
• Wikidata: Q209173
• Metabolomics Workbench ID: 51747
• ChEMBL ID: CHEMBL109095
• Mol file: 95-95-4.mol

Synonyms:2,4,5-trichlorophenol;2,4,5-trichlorophenol, copper salt;2,4,5-trichlorophenol, potassium salt;2,4,5-trichlorophenol, sodium salt;2,4,5-trichlorophenolate

Chemical Property of 2,4,5-Trichlorophenol

Chemical Property:

• Appearance/Colour: White to pale brown solid
• Vapor Pressure: 0.0106mmHg at 25°C
• Melting Point: 67-69 °C(lit.)
• Refractive Index: AUTOIGNITION
• Boiling Point: 254.8 °C at 760 mmHg
• Flash Point: 107.9 °C
• PSA: 20.23000
• Density: 1.596 g/cm³
• LogP: 3.35240
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 195.924948
• Heavy Atom Count: 10
• Complexity: 120
• Transport DOT Label: Poison

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn,N,Xi; T,F
• Hazard Codes: Xn:Harmful;;
• Statements: R22:; R36/38:; R50/53:
• Safety Statements: S26:; S28A:; S60:; S61:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Chlorophenols
• Canonical SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)O
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached when dispersed.
• Effects of Short Term Exposure: The substance is severely irritating to the eyes, skin and respiratory tract.
• Effects of Long Term Exposure: Repeated or prolonged contact with skin may cause dermatitis. The substance may have effects on the liver and kidneys.

Technology Process of 2,4,5-Trichlorophenol

There total 45 articles about 2,4,5-Trichlorophenol 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: 96.0%

1,1-dimethylethyl 2,4,5-trichlorophenyl carbonate (16965-08-5) → 2,4,5-trichlorophenol (95-95-4)

Guidance literature:

With polymer-supported potassium thiophenolate; In tetrahydrofuran; methanol; at 80 ℃;

DOI:10.1055/s-2004-817786

Reference yield: 90.0%

O-(4-Nitrobenzyl)-2,4,5-trichlorophenol → 2,4,5-trichlorophenol (95-95-4)

Guidance literature:

With indium; ammonium chloride; In ethanol; for 18h; Heating;

DOI:10.1055/s-1999-2904

Reference yield: 75.8%

2,4,5-trichloroaniline (636-30-6) → 2,4,5-trichlorophenol (95-95-4)

Guidance literature:

2,4,5-trichloroaniline; With sulfuric acid; sodium nitrite; In water; at 8 ℃;

With copper(ll) sulfate pentahydrate; at 80 ℃;

upstream raw materials:

1,2,4,5-tetrachlorobenzene

sodium methylate

ethanol

2,3,5-trichloro-6-hydroxy-benzenediazonium-betaine

Downstream raw materials:

3,4,6-trichloro-2-(4-methyl-piperazinomethyl)-phenol

2,4,5-trichlorophenyl acetate

Monothiophosphorsaeure-O,O-dimethyl-O-(2,4,5-trichlor-phenylester)

chloropyriphos

Refernces

• 1、 Su, Peigen,Fan, Chao,Yu, Heng,Wang, Wanqin,Jia, Xin,Rao, Qifan,Fu, Chenxi,Zhang, Donghua,Huang, Benhua,Pan, Cheng,Zheng, Aqun,Sun, Yang. "Synthesis of Ti-Al binary oxides and their catalytic application for C-H halogenation of phenols, aldehydes and ketones". . . Retrieved 2019/06/13.
• 2、 Antonaraki,Triantis,Papaconstantinou,Hiskia. "Photocatalytic degradation of lindane by polyoxometalates: Intermediates and mechanistic aspects". experimental part. p. 119 - 124. Retrieved 2010/08/22.