2,4,5-Trichloroaniline

Base Information

• Chemical Name: 2,4,5-Trichloroaniline
• CAS No.: 636-30-6
• Deprecated CAS: 2379891-52-6
• Molecular Formula: C6H4Cl3N
• Molecular Weight: 196.463
• Hs Code.: 2921.42
• European Community (EC) Number: 211-254-9
• NSC Number: 64139
• UNII: 7XKK8S8WO0
• DSSTox Substance ID: DTXSID5044152
• Nikkaji Number: J2.099K
• Wikidata: Q27268985
• Mol file: 636-30-6.mol

Synonyms:2,4,5-trichloroaniline

Chemical Property of 2,4,5-Trichloroaniline

Chemical Property:

• Appearance/Colour: grey-brown crystalline powder and chunks
• Vapor Pressure: 0.00702mmHg at 25°C
• Melting Point: 93-95 °C(lit.)
• Refractive Index: 1.626
• Boiling Point: 270 °C at 760 mmHg
• PKA: 0.96±0.10(Predicted)
• Flash Point: 124.9 °C
• PSA: 26.02000
• Density: 1.54 g/cm³
• LogP: 3.81020
• Storage Temp.: Store below +30°C.
• Water Solubility.: 0.094 g/L (15 ºC)
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 194.940932
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

2,4,5-Trichloroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, N
• Hazard Codes: T,N
• Statements: 23/24/25-33-50/53
• Safety Statements: 28-36/37-45-60-61-28A

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)N
• Uses: 2,4,5-Trichloroaniline is a chlorinated aniline used in the preparation of azo dyes, insecticides, herbicides as well as in antiviral agents.

Technology Process of 2,4,5-Trichloroaniline

There total 12 articles about 2,4,5-Trichloroaniline 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: 90.0%

2,4,5-Trichloronitrobenzene (89-69-0) → 2,4,5-trichloroaniline (636-30-6)

Guidance literature:

With hydrogenchloride; tin(ll) chloride; for 4h; Heating;

DOI:10.1039/DT9940000965

Reference yield: 23.7%

C11H13Cl2NO2 (116278-64-9) → 2,3,4-trichloroaniline (634-67-3) + 2-amino-4,5-dichlorophenol (28443-57-4) + 5,6-dichloro-2-aminophenol (116278-69-4) + 3,4-dichloro-2-hydroxypivalanilide (116278-68-3) + 4,5-dichloro-2-hydroxypivalanilide (116278-67-2) + 2,4,5-trichloroaniline (636-30-6)

Guidance literature:

In water; acetonitrile; at 40 ℃; Rate constant; pH=4.7, μ=0.5M;

DOI:10.1021/jo00255a018

Reference yield:

chlorine (7782-50-5) + 3-chloro-aniline (108-42-9) → 2,5 dichloroaniline (95-82-9) + 2,3,4-trichloroaniline (634-67-3) + m,p-dichloroaniline (95-76-1) + 2,4,5-trichloroaniline (636-30-6)

Guidance literature:

upstream raw materials:

2,4,5-Trichloronitrobenzene

3-Chloroacetanilide

N-(2,4,5-trichlorophenyl)acetamide

2-amino-3,5,6-trichloro-benzoic acid

Downstream raw materials:

N-(2,4,5-trichlorophenyl)acetamide

N-(2,4,5-trichlorophenyl)anthranilic acid

3-(2,4,5-Trichlorphenyl)-4-amino-2,3,5,6,7,8-hexahydro-chinazolin-2-on

2,5-Dichloro-1,4-benzoquinone

Refernces

• 1、 Ray, Manabendra,Mukherjee, Rabindranath,Richardson, John F.,Mashuta, Mark S.,Buchanan, Robert M.. "Control of the Stereochemistry of Four-co-ordinate Copper(II) Complexes by Pyridinecarboxamide Ligands: Crystal Structure, Spectral and Redox Properties". . p. 965 - 970. Retrieved 2007/10/02.
• 2、 Semenova, N. S.,Denisenko, T. V.,Sklyar, S. Ya.. "LOWERING OF THE DEGREE OF DEHALOGENATION DURING REDUCTION OF CHLORONITROBENZENES BY HYDROGEN". . p. 2307 - 2309. Retrieved 2007/10/02.