2-Amino-4,5-dichlorophenol

Base Information

• Chemical Name: 2-Amino-4,5-dichlorophenol
• CAS No.: 28443-57-4
• Molecular Formula: C6H5 Cl2 N O
• Molecular Weight: 178.018
• Hs Code.: 2922299090
• European Community (EC) Number: 806-494-1
• DSSTox Substance ID: DTXSID50182643
• Nikkaji Number: J88.560F
• Wikidata: Q83053352
• Mol file: 28443-57-4.mol

Synonyms:2-Amino-4,5-dichlorophenol

Chemical Property of 2-Amino-4,5-dichlorophenol

Chemical Property:

• Vapor Pressure: 0.000358mmHg at 25°C
• Melting Point: 174-175 °C
• Boiling Point: 309.1°C at 760 mmHg
• PKA: 8.36±0.23(Predicted)
• Flash Point: 140.7°C
• PSA: 46.25000
• Density: 1.56g/cm³
• LogP: 2.86240
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 176.9748192
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

95% purity ^*data from raw suppliers

2-Amino-4,5-dichlorophenol ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Cl)Cl)O)N

Technology Process of 2-Amino-4,5-dichlorophenol

There total 7 articles about 2-Amino-4,5-dichlorophenol 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: 89.0%

2-nitro-4,5-dichlorophenol (39224-65-2) → 2-amino-4,5-dichlorophenol (28443-57-4)

Guidance literature:

With iron; acetic acid; In water; for 0.166667h; Heating;

DOI:10.1021/jo952101z

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: 14.5%

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

Guidance literature:

In water; acetonitrile; at 40 ℃; pH=4.7 (1:1 HOAc/KOAc);

DOI:10.1021/jo00255a018

upstream raw materials:

2-nitro-4,5-dichlorophenol

C₁₁H₁₃Cl₂NO₂

3,4-dichlorophenol

1,2-dichloro-4,5-dinitrobenzene

Downstream raw materials:

N-(4-chloro-phenyl)-N'-(4,5-dichloro-2-hydroxy-phenyl)-thiourea

N-(4,5-dichloro-2-hydroxy-phenyl)-N'-(3,4-dichloro-phenyl)-thiourea

N-(4,5-dichloro-2-hydroxyphenyl)acetamide

N-(4,5-dichloro-2-hydroxyphenyl)-4-nitrobenzamide

Refernces

• 1、 -. "COVALENT INHIBITORS OF KRAS G12C". Paragraph 0456. . Retrieved 2014/09/30.
• 2、 Lok, Roger,Leone, Ronald E.,Williams, Antony J.. "Facile rearrangements of alkynylamino heterocycles with noble metal cations". . p. 3289 - 3297. Retrieved 2007/10/03.