3,4,5-Trichlorophenol

Base Information

• Chemical Name: 3,4,5-Trichlorophenol
• CAS No.: 609-19-8
• Molecular Formula: C6H3 Cl3 O
• Molecular Weight: 197.448
• Hs Code.: 2908199090
• European Community (EC) Number: 210-183-0
• NSC Number: 243667
• UN Number: 2020
• UNII: 2JF54EGE7O
• DSSTox Substance ID: DTXSID4026212
• Nikkaji Number: J1.656J
• Wikidata: Q27254825
• Metabolomics Workbench ID: 143646
• ChEMBL ID: CHEMBL1484480
• Mol file: 609-19-8.mol

Synonyms:3,4,5-TCP;3,4,5-trichlorophenol

Chemical Property of 3,4,5-Trichlorophenol

Chemical Property:

• Vapor Pressure: 0.00211mmHg at 25°C
• Melting Point: 101oC
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 281.3oC at 760 mmHg
• PKA: pK1:7.839 (25°C)
• Flash Point: 123.9oC
• PSA: 20.23000
• Density: 1.596g/cm3
• LogP: 3.35240
• Storage Temp.: 0-6°C
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 195.924948
• Heavy Atom Count: 10
• Complexity: 108
• Transport DOT Label: Poison

Purity/Quality:

97% ^*data from raw suppliers

3,4,5-Trichlorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A poison.
• Hazard Codes: Xn,N
• Statements: 20/21/22-36/37/38-50/53-41-37/38
• Safety Statements: 26-36-61-60

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4,5-Trichlorophenol

There total 16 articles about 3,4,5-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: 100.0%

(3,4,5-trichlorophenyl)boronic acid (862248-93-9) → 3,4,5-trichlorophenol (609-19-8)

Guidance literature:

With dihydrogen peroxide; sodium hydroxide; In tetrahydrofuran; at 20 ℃; for 2h;

Reference yield: 49.0%

3,4,5-trichlorobenzenediazonium tetrafluoroborate (2106-38-9) → 3,4,5-trichlorophenol (609-19-8)

Guidance literature:

With copper(I) oxide; copper(II) nitrate; In water; at 20 ℃; for 1.16667h;

Reference yield:

municipal waste → 3,4,5-trichlorophenol (609-19-8) + 2,3,5,6-tetrachlorophenol (935-95-5) + 2,3,4,5-tetrachlorophenol (4901-51-3) + 2,3,4,6-tetrachlorophenol (58-90-2)

Guidance literature:

With oxygen; at 350 ℃; Further byproducts given. Title compound not separated from byproducts; Formation of xenobiotics;

DOI:10.1016/S0045-6535(00)00223-X

upstream raw materials:

3,5-dichloro-4-aminophenol

3,4,5-trichloroanisole

3,4,5-trichloroaniline

3,5-dichlorophenol

Downstream raw materials:

3,4,5-trichloro-2,6-bis-hydroxymethyl-phenol

3,4,5,3',4',5'-hexachloro-2,2'-methanediyl-di-phenol

(3,4,5-trichloro-phenoxy)-acetic acid amide

Boc-L-β-cyanoalanine-3,4,5-trichlorophenyl ester