2,3,5-Trichlorophenol

Base Information

• Chemical Name: 2,3,5-Trichlorophenol
• CAS No.: 933-78-8
• Molecular Formula: C6H3Cl3O
• Molecular Weight: 197.448
• Hs Code.: 2908199090
• European Community (EC) Number: 213-272-2
• ICSC Number: 0589
• UN Number: 2020
• UNII: 6T7DUC2C8B
• DSSTox Substance ID: DTXSID0026208
• Nikkaji Number: J1.750G
• Wikidata: Q2682869
• Metabolomics Workbench ID: 143645
• ChEMBL ID: CHEMBL1569358
• Mol file: 933-78-8.mol

Synonyms:2,3,5-trichlorophenol

Chemical Property of 2,3,5-Trichlorophenol

Chemical Property:

• Appearance/Colour: Long colorless needles or white chalky solid.
• Vapor Pressure: 0.0139mmHg at 25°C
• Melting Point: 57-60 °C
• Refractive Index: 1.608
• Boiling Point: 250.2 °C at 760 mmHg
• PKA: 6.57±0.15(Predicted)
• Flash Point: 105.1 °C
• PSA: 20.23000
• Density: 1.596 g/cm³
• LogP: 3.35240
• Storage Temp.: 0-6°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly, Heated)
• Water Solubility.: 771mg/L(25 oC)
• XLogP3: 3.6
• 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%min ^*data from raw suppliers

2,3,5-Trichlorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn；N；F
• Hazard Codes: Xn,N,F
• Statements: 36/38-22-51/53-36/37/38-36-20/21/22-11-50/53
• Safety Statements: 37/39-26-61-36/37-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1O)Cl)Cl)Cl
• Inhalation Risk: Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly when dispersed.
• Uses: 2,3,5-Trichlorophenol is a halogenated phenol with possible toxic effects.

Technology Process of 2,3,5-Trichlorophenol

There total 22 articles about 2,3,5-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: 41.0%

2,3,5-trichloroanisole (54135-81-8) + sodium methylate (124-41-4) → 2,3,5-trichlorophenol (933-78-8) + 1,2-dichloro-3,5-dimethoxybenzene (86607-58-1) + 2,5-dichloro-1,3-dimethoxybenzene (10367-97-2)

Guidance literature:

In N,N,N,N,N,N-hexamethylphosphoric triamide; at 120 ℃;

DOI:10.1016/S0040-4020(01)97647-1

Reference yield: 15.0%

2,3,5-trichloroanisole (54135-81-8) → 2,3,5-trichlorophenol (933-78-8) + 1,2-dichloro-3,5-dimethoxybenzene (86607-58-1) + 2,5-dichloro-1,3-dimethoxybenzene (10367-97-2)

Guidance literature:

With sodium methylate; In N,N,N,N,N,N-hexamethylphosphoric triamide; at 120 ℃;

DOI:10.1016/S0040-4020(01)97647-1

Reference yield: 10.0%

2,3,4,5-tetrachlorophenol (4901-51-3) → 2,3,5-trichlorophenol (933-78-8)

Guidance literature:

In water; acetonitrile; for 6h; Product distribution; Mechanism; Irradiation; varying reaction time, pH of photolyzed sample;

upstream raw materials:

1,2,3,5-tetrachlorobenzene

sodium methylate

2,3,5-trichloroaniline

2,3,5-trichloroanisole

Downstream raw materials:

(2,3,5-trichloro-phenoxy)-acetic acid amide

α-(2,3,5-trichlorophenoxy)butyric acid

(2R,3S)-1-(2,4,5-trichlorophenoxy)-4-(tert-butyldimethylsiloxy)-3-(benzyloxy)butan-2-ol

1,1'-biphenyl-3,3'-diol

Refernces

• 1、 Cevasco, Giorgio,Thea, Sergio,Vigo, Daniele,Williams, Andrew,Zaman, Flora. "Catalysis and inhibition of ester hydrolysis in the presence of resorcinarene hosts functionalized with dimethylamino groups". . p. 630 - 636. Retrieved 2008/02/08.
• 2、 Maude, Antony B.,Williams, Andrew. "Complexation catalysis: effective charge development in the aminolysis of phenyl esters in chlorobenzene catalysed by crown ethers". . p. 691 - 696. Retrieved 2007/10/02.