3-Bromo-2-nitrophenol

Base Information

• Chemical Name: 3-Bromo-2-nitrophenol
• CAS No.: 76361-99-4
• Molecular Formula: C6H4BrNO3
• Molecular Weight: 218.007
• Hs Code.: 2908999090
• European Community (EC) Number: 640-283-3
• Nikkaji Number: J801.810C
• Mol file: 76361-99-4.mol

Synonyms:3-bromo-2-nitrophenol;76361-99-4;3-bromo-2-nitro-phenol;MFCD08445675;Phenol, bromonitro-;2-Bromo-6-hydroxynitrobenzene;3-Brom-2-nitro-phenol;Phenol, 3-bromo-2-nitro-;SCHEMBL1162131;BCP14019;AKOS007930459;AM61673;PS-6257;SB38642;SY110013;CS-0042077;EN300-102915;F13542;A838680;J-511889

Chemical Property of 3-Bromo-2-nitrophenol

Chemical Property:

• Vapor Pressure: 0.0346mmHg at 25°C
• Melting Point: 65-67 °C
• Refractive Index: 1.651
• Boiling Point: 234.4 °C at 760 mmHg
• PKA: 4.49±0.10(Predicted)
• Flash Point: 95.6 °C
• PSA: 66.05000
• Density: 1.881 g/cm³
• LogP: 2.58610
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• 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%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Bromo-2-nitrophenol

There total 3 articles about 3-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:

2-nitrophenyl bromide (577-19-5) → 2-bromo-6-nitro-phenol (13073-25-1) + 2-bromo-4-nitrophenol (5847-59-6) + 3-bromo-4-nitrophenol (5470-65-5) + 3-bromo-2-nitro-phenol (76361-99-4)

Guidance literature:

With potassium hydroxide; oxygen; In ammonia; at -33 ℃; Further byproducts given;

Reference yield:

3-Bromophenol (591-20-8) → 3-bromo-2-nitro-phenol (76361-99-4)

Guidance literature:

Bildung bei aufeinanderfolgender Sulfonierung, Nitrierung und Hydrolyse;

DOI:10.1039/jr9300000928

Reference yield:

3-Bromophenol (591-20-8) + sulfuric acid (7664-93-9) + nitric acid (7697-37-2,78989-43-2) → 3-bromo-2,4,6-trinitro-phenol (19046-86-7) + 3-bromo-2-nitro-phenol (76361-99-4)

Guidance literature:

upstream raw materials:

3-Bromophenol

2-nitrophenyl bromide

sulfuric acid

nitric acid

Downstream raw materials:

3-bromo-2,4,6-trinitro-phenol

3-bromo-2,6-dinitro-phenol

2-amino-3-bromophenol

2,3,4-tribromo-6-nitro-phenol

Refernces