2-Bromo-3,5-dinitrobenzoic acid

Base Information

• Chemical Name: 2-Bromo-3,5-dinitrobenzoic acid
• CAS No.: 116529-60-3
• Molecular Formula: C7H3BrN2O6
• Molecular Weight: 291.015
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID40396171
• Wikidata: Q72455114
• Mol file: 116529-60-3.mol

Synonyms:2-bromo-3,5-dinitrobenzoic acid;116529-60-3;MFCD00458630;2-Bromo-3,5-dinitrobenzoicacid;SCHEMBL13338213;AMY2965;DTXSID40396171;CK2225;STK365755;AKOS005442714;Benzoic acid, 2-bromo-3,5-dinitro-;AC-28564;AS-18831;SY109983;CS-0186573;2-Bromo-3,5-dinitrobenzoic acid, 95%, AldrichCPR

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

Chemical Property:

• Vapor Pressure: 1.55E-06mmHg at 25°C
• Melting Point: 213℃
• Refractive Index: 1.685
• Boiling Point: 382.6 °C at 760 mmHg
• PKA: 1.44±0.10(Predicted)
• Flash Point: 185.2 °C
• PSA: 128.94000
• Density: 2.051 g/cm³
• LogP: 3.01010
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 289.91745
• Heavy Atom Count: 16
• Complexity: 324

Purity/Quality:

98%min ^*data from raw suppliers

2-Bromo-3,5-dinitrobenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1C(=O)O)Br)[N+](=O)[O-])[N+](=O)[O-]

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

There total 3 articles about 2-Bromo-3,5-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:

2-bromo-3-nitro-benzoic acid (573-54-6) → 2-bromo-3,5-dinitro-benzoic acid (116529-60-3)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1021/ja01273a039

Reference yield:

2-bromobenzoic-acid (88-65-3) → 2-bromo-3,5-dinitro-benzoic acid (116529-60-3)

Guidance literature:

With sulfuric acid; potassium nitrate; at 130 - 140 ℃;

Reference yield:

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 2-bromo-3,5-dinitro-benzoic acid (116529-60-3)

Guidance literature:

Multi-step reaction with 2 steps

1: man traegt die Diazoloesung bei 70-80grad in Kupfer(I)-bromid-Loesung ein

2: concentrated sulfuric acid; potassium nitrate / 130 - 140 °C

With sulfuric acid; potassium nitrate;

upstream raw materials:

2-bromo-3-nitro-benzoic acid

2-bromobenzoic-acid

anthranilic acid

Downstream raw materials:

2-bromo-3,5-dinitro-benzoic acid methyl ester

2-bromo-3,5-dinitro-benzoyl chloride

2-amino-4,6-dinitrodiphenylamine

2-methyl-5,7-dinitro-1-phenylbenzimidazole