2-Bromo-5-nitrophenol

Base Information

• Chemical Name: 2-Bromo-5-nitrophenol
• CAS No.: 52427-05-1
• Molecular Formula: C6H4BrNO3
• Molecular Weight: 218.007
• Hs Code.: 2908999090
• European Community (EC) Number: 801-217-0
• DSSTox Substance ID: DTXSID10511894
• Nikkaji Number: J801.809J
• Wikidata: Q72448641
• Mol file: 52427-05-1.mol

Synonyms:2-bromo-5-nitrophenol;52427-05-1;Phenol, 2-bromo-5-nitro-;MFCD00466299;2-bromo-5-nitro-phenol;SCHEMBL526702;DTXSID10511894;KNJNITQHVLIWBN-UHFFFAOYSA-N;2-Bromo-5-nitrophenol, AldrichCPR;AMY32296;AKOS015856567;CS-W008085;AC-28571;AS-17579;SY019904;FT-0685686;EN300-113637;A829078;AE-641/02443044;J-508411

Chemical Property of 2-Bromo-5-nitrophenol

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Melting Point: 118-119 °C
• Refractive Index: 1.652
• Boiling Point: 278.882 °C at 760 mmHg
• PKA: 6.65±0.19(Predicted)
• Flash Point: 122.464 °C
• PSA: 66.05000
• Density: 1.881 g/cm³
• LogP: 2.58610
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.7
• 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%,99%, ^*data from raw suppliers

2-Bromo-5-nitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-5-nitrophenol

There total 14 articles about 2-Bromo-5-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: 99.0%

1-bromo-2-methoxy-4-nitrobenzene (77337-82-7) → 2-bromo-5-nitrophenol (52427-05-1)

Guidance literature:

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

Reference yield: 78.0%

5-Nitro-2-aminophenol (121-88-0) → 2-bromo-5-nitrophenol (52427-05-1)

Guidance literature:

With aminosulfonic acid; hydrogen bromide; sodium nitrite; In water;

DOI:10.1016/j.ejmech.2014.06.022

Reference yield:

2-methoxy-4-nitro-1-(trifluoromethyl)benzene (453560-74-2) + 1-bromo-2-methoxy-4-nitrobenzene (77337-82-7) → 2-bromo-5-nitrophenol (52427-05-1) + 3-nitro-6-trifluoromethylphenol (612498-85-8)

Guidance literature:

With pyridine hydrochloride; at 210 ℃; for 0.666667h;

upstream raw materials:

3-amino-2-bromo-5-nitro-phenol

5-Nitro-2-aminophenol

1-bromo-2-methoxy-4-nitrobenzene

meta-nitrophenol

Downstream raw materials:

1-bromo-2-methoxy-4-nitrobenzene

potassium 2-bromo-5-nitrophenoxide

ethyl 2-(2-bromo-5-nitrophenoxy)-2-methylpropionate

1-bromo-2-(2-methoxyethoxy)-4-nitrobenzene