3-Bromo-5-hydroxy-2,6-dinitrobenzoic acid

Base Information

• Chemical Name: 3-Bromo-5-hydroxy-2,6-dinitrobenzoic acid
• CAS No.: 67973-20-0
• Molecular Formula: C7H3BrN2O7
• Molecular Weight: 307.014
• DSSTox Substance ID: DTXSID80498047
• Wikidata: Q82347873
• Mol file: 67973-20-0.mol

Synonyms:67973-20-0;3-BROMO-5-HYDROXY-2,6-DINITROBENZOIC ACID;3-BROMO-5-HYDROXY-2,6-DINITRO-BENZOIC ACID;SCHEMBL8110993;DTXSID80498047;FT-0749617;A835949;3-BROMO-5-HYDROXY-2,6-DINITRO-BENZOICACID

Chemical Property of 3-Bromo-5-hydroxy-2,6-dinitrobenzoic acid

Chemical Property:

• Vapor Pressure: 7.81E-08mmHg at 25°C
• Melting Point: 174-175 °C(Solv: benzene (71-43-2))
• Refractive Index: 1.727
• Boiling Point: 420.8 °C at 760 mmHg
• PKA: 0.68±0.35(Predicted)
• Flash Point: 208.3 °C
• PSA: 149.17000
• Density: 2.188 g/cm³
• LogP: 2.71570
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 305.91236
• Heavy Atom Count: 17
• Complexity: 351

Purity/Quality:

99% ^*data from raw suppliers

3-BROMO-5-HYDROXY-2,6-DINITRO-BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Bromo-5-hydroxy-2,6-dinitrobenzoic acid

There total 2 articles about 3-Bromo-5-hydroxy-2,6-dinitrobenzoic acid 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: 90.0%

3,5-dibromo-2,6-dinitrobenzoic acid (67973-19-7) → 3-bromo-2,6-dinitro-5-hydroxybenzoic acid (67973-20-0)

Guidance literature:

With hydrogenchloride; In sodium hydroxide; benzene;

Reference yield:

3,5-dibromobenzoic acid (618-58-6) → 3-bromo-2,6-dinitro-5-hydroxybenzoic acid (67973-20-0)

Guidance literature:

Multi-step reaction with 2 steps

1: HNO₃, H₂SO₄

2: aq. NaOH

With sodium hydroxide; sulfuric acid; nitric acid;

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 3-bromo-2,6-dinitro-5-hydroxybenzoic acid (67973-20-0) → methyl 3-bromo-2,6-dinitro-5-methoxybenzoate (56709-74-1)

Guidance literature:

In methanol;

upstream raw materials:

3,5-dibromo-2,6-dinitrobenzoic acid

3,5-dibromobenzoic acid

Downstream raw materials:

methyl 3-bromo-2,6-dinitro-5-methoxybenzoate