5-Amino-2-bromophenol

Base Information

• Chemical Name: 5-Amino-2-bromophenol
• CAS No.: 55120-56-4
• Molecular Formula: C6H6BrNO
• Molecular Weight: 188.024
• Hs Code.: 2922299090
• European Community (EC) Number: 845-224-7
• DSSTox Substance ID: DTXSID70435981
• Nikkaji Number: J90.249G
• Wikidata: Q82251135
• Mol file: 55120-56-4.mol

Synonyms:5-amino-2-bromophenol;55120-56-4;5-amino-2-bromo-phenol;4-bromo-3-hydroxy-aniline;SCHEMBL1014479;DTXSID70435981;UTWKTHGCIITRAB-UHFFFAOYSA-N;AKOS006310699;MB08323;CS-0234194;FT-0712233;C91066;EN300-139538;A870269;AN-584/43409802;Z1198266787

Chemical Property of 5-Amino-2-bromophenol

Chemical Property:

• Melting Point: 150 °C
• Boiling Point: 261.1±20.0 °C(Predicted)
• PKA: 8.48±0.10(Predicted)
• PSA: 46.25000
• Density: 1.768±0.06 g/cm3(Predicted)
• LogP: 2.31810
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 186.96328
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

95% ^*data from raw suppliers

5-Amino-2-bromophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N)O)Br

Technology Process of 5-Amino-2-bromophenol

There total 14 articles about 5-Amino-2-bromophenol 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: 93.0%

2-bromo-5-nitrophenol (52427-05-1) → 4-bromo-3-hydroxy-aniline (55120-56-4)

Guidance literature:

With iron; ammonium chloride; In ethanol; water; at 80 ℃; for 5h;

Reference yield: 88.0%

4-bromo-3-methoxyaniline (19056-40-7) → 4-bromo-3-hydroxy-aniline (55120-56-4)

Guidance literature:

With boron tribromide; In dichloromethane; at 0 - 20 ℃; for 24h;

DOI:10.1248/cpb.c18-00917

Reference yield: 74.0%

→ 4-bromo-3-hydroxy-aniline (55120-56-4)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 20 ℃; for 18h; Molecular sieve; Inert atmosphere; Sealed tube;

upstream raw materials:

2-bromo-5-nitrophenol

N-(4-bromo-3-hydroxyphenyl)acetamide

m-Hydroxyaniline

3-Amino-5-nitro-phenol

Downstream raw materials:

4-Bromoresorcinol

7-amino-4-methylcoumarin.

Refernces

• 1、 -. "SECOND GENERATION INHIBITORS OF MITOCHONDRIAL PERMEABILITY TRANSITION PORE WITH IMPROVED PLASMA STABILITY". Page/Page column 22. . Retrieved 2021/01/29.
• 2、 ?ileikyt?, Justina,Devereaux, Jordan,de Jong, Jelle,Schiavone, Marco,Jones, Kristen,Nilsen, Aaron,Bernardi, Paolo,Forte, Michael,Cohen, Michael S.. "Second-Generation Inhibitors of the Mitochondrial Permeability Transition Pore with Improved Plasma Stability". . p. 1771 - 1782. Retrieved 2019/10/21.