4-Amino-2,6-dibromophenol

Base Information

• Chemical Name: 4-Amino-2,6-dibromophenol
• CAS No.: 609-21-2
• Molecular Formula: C6H5Br2NO
• Molecular Weight: 266.92
• Hs Code.: 29222900
• European Community (EC) Number: 210-185-1
• NSC Number: 6217
• DSSTox Substance ID: DTXSID0060567
• Nikkaji Number: J79.720K
• Wikidata: Q72435626
• Mol file: 609-21-2.mol

Synonyms:4-Amino-2,6-dibromophenol;609-21-2;2,6-Dibromo-4-aminophenol;3,5-Dibromo-4-hydroxyaniline;Phenol, 4-amino-2,6-dibromo-;C6H5Br2NO;4-amino-2,6-dibromo-phenol;NSC 6217;EINECS 210-185-1;4-HYDROXY-3,5-DIBROMOANILINE;NSC6217;MFCD00007874;2,6-dibrom-4-aminophenol;SCHEMBL95180;4-Amino-2,6-dibrom-phenol;C6-H5-Br2-N-O;DTXSID0060567;3',5'-Dibromo-4-hydroxyaniline;NSC-6217;BBL012064;STK730101;AKOS000293762;AS-58461;CS-0008306;FT-0617452;A832957

Chemical Property of 4-Amino-2,6-dibromophenol

Chemical Property:

• Appearance/Colour: beige to pale brown crystalline powder
• Vapor Pressure: 0.000858mmHg at 25°C
• Melting Point: 195-196 °C(lit.)
• Refractive Index: 1.707
• Boiling Point: 295.6 °C at 760 mmHg
• PKA: 7.17±0.23(Predicted)
• Flash Point: 132.6 °C
• PSA: 46.25000
• Density: 2.178 g/cm³
• LogP: 3.08060
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 266.87174
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

98%min ^*data from raw suppliers

4-Amino-2,6-dibromophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Br)O)Br)N

Technology Process of 4-Amino-2,6-dibromophenol

There total 16 articles about 4-Amino-2,6-dibromophenol 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: 94.4%

2,6-dibromo-4-nitrophenol (99-28-5) → 2,6-dibromo-4-aminophenol (609-21-2)

Guidance literature:

With iron; acetic acid; In ethanol; water; at 80 ℃; for 0.5h;

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + ethanol (64-17-5) + N-(3,5-dibromo-4-hydroxy-phenyl)-phthalimide → 2,6-dibromo-4-aminophenol (609-21-2) + benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5)

Guidance literature:

DOI:10.1007/BF01525946

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → 2,6-dibromo-4-aminophenol (609-21-2)

Guidance literature:

Multi-step reaction with 2 steps

1: glacial acetic acid; bromine / 100 °C

2: tin; hydrochloric acid

With hydrogenchloride; tin; bromine; acetic acid;

upstream raw materials:

2,6-dibromo-4-nitrophenol

4-Diazo-2,6-dibromo-2,5-cyclohexadienone

p-hydroxybenzamide

2,6-dibromo-4-nitrosophenol

Downstream raw materials:

acetic acid-(4-ethoxy-3,5-dibromo-anilide)

2,6-dibromophenol

3,3',5,5'-tetrabromoazobenzene-4,4'-diol

N-(o-bromobenzylidene)-4-amino-2,6-dibromophenol

Refernces

• 1、 -. "Pyridazinone derivative and application thereof". Paragraph 0298-0303. . Retrieved 2020/11/23.
• 2、 -. "Quinazoline derivative and preparation method and application thereof". Paragraph 0066; 0069-0070. . Retrieved 2020/07/15.