4-Bromo-2-nitrophenol

Base Information

• Chemical Name: 4-Bromo-2-nitrophenol
• CAS No.: 7693-52-9
• Molecular Formula: C6H4BrNO3
• Molecular Weight: 218.007
• Hs Code.: 29089990
• European Community (EC) Number: 231-707-4
• NSC Number: 402972
• UNII: SNK5JLK3FA
• DSSTox Substance ID: DTXSID20227717
• Nikkaji Number: J326.521H
• Wikidata: Q72448664
• Mol file: 7693-52-9.mol

Synonyms:4-BROMO-2-NITROPHENOL;7693-52-9;2-Nitro-4-bromophenol;Phenol, 4-bromo-2-nitro-;4-bromo-2-nitro-phenol;SNK5JLK3FA;EINECS 231-707-4;MFCD00082540;NSC 402972;BRN 1870312;NSC-402972;4-06-00-01363 (Beilstein Handbook Reference);4-Bromo-1-hydroxy-2-nitrobenzene;4-Bromo-nitrophenol;NSC402972;UNII-SNK5JLK3FA;4-Brom-2-nitro-phenol;SCHEMBL7524;4-Bromo-2-nitrophenol, 98%;DTXSID20227717;BCP22871;STR07859;STL280144;AKOS005206941;AM82860;BCP9000155;CS-W007763;PB48914;PS-4882;AC-23116;BP-20391;SY017881;LS-104104;A9748;B2363;FT-0612060;FT-0612063;EN300-80378;AE-641/04249054;2-ETHYL-6-METHYL-IMIDAZO[1,2-B]PYRIDAZINE;W-104336

Chemical Property of 4-Bromo-2-nitrophenol

Chemical Property:

• Appearance/Colour: yellow crystalline powder or crystals
• Vapor Pressure: 0.00805mmHg at 25°C
• Melting Point: 90-94 °C(lit.)
• Refractive Index: 1.6090 (estimate)
• Boiling Point: 259.4 °C at 760 mmHg
• PKA: 6.28±0.14(Predicted)
• Flash Point: 110.7 °C
• PSA: 66.05000
• Density: 1.881 g/cm³
• LogP: 2.58610
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 216.93746
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

98% ^*data from raw suppliers

4-Bromo-2-nitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-20/22
• Safety Statements: 26-36-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)[N+](=O)[O-])O

Technology Process of 4-Bromo-2-nitrophenol

There total 38 articles about 4-Bromo-2-nitrophenol 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%

2-hydroxynitrobenzene (88-75-5,78813-12-4) → 4-bromo-2-nitrophenol (7693-52-9)

Guidance literature:

With sulfuric acid; C₁₈H₁₆Br₄N₂O₃V; dihydrogen peroxide; potassium bromide; In methanol; water; at 20 ℃; for 0.333333h; Reagent/catalyst; Catalytic behavior;

DOI:10.1016/j.poly.2013.10.026

Reference yield: 98.0%

4-bromo-phenol (106-41-2) → 4-bromo-2-nitrophenol (7693-52-9)

Guidance literature:

With silica gel; citric acid; sodium nitrite; In hexane; at 20 ℃; for 0.75h;

DOI:10.1070/MC2006v016n01ABEH002116

Reference yield: 95.23%

2-hydroxybromobenzene (95-56-7) → 4-bromo-2-nitrophenol (7693-52-9)

Guidance literature:

With nitric acid; acetic acid; at 20 ℃; for 0.0833333h;

upstream raw materials:

methanol

4-bromo-phenol

4-Bromo-1-fluoro-2-nitrobenzene

5-bromo-2-hydroxy-3-nitrobenzoic acid

Downstream raw materials:

4-bromo-2,6-dinitrophenol

2-bromo-4,6-dinitrophenol

4-bromo-6-chloro-2-nitrophenol

2-amino-4-bromo-phenol

Refernces

• 1、 Bernal, Freddy A.,Gerhards, Marcel,Kaiser, Marcel,Wünsch, Bernhard,Schmidt, Thomas J.. "(±)-trans-2-phenyl-2,3-dihydrobenzofurans as leishmanicidal agents: Synthesis, in vitro evaluation and SAR analysis". . . Retrieved 2020/08/06.
• 2、 Arrieta, Ana,Cossío, Fernando P.,Granados, Albert,Shafir, Alexandr,Vallribera, Adelina. "Stepwise mechanism for the bromination of arenes by a hypervalent iodine reagent". . p. 2142 - 2150. Retrieved 2020/03/11.