5-Bromo-4-nitrobenzo[c][1,2,5]selenadiazole

Base Information

• Chemical Name: 5-Bromo-4-nitrobenzo[c][1,2,5]selenadiazole
• CAS No.: 1753-20-4
• Molecular Formula: C6H2BrN3O2Se
• Molecular Weight: 306.965
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID60435450
• Nikkaji Number: J2.136.679J,J443.284C
• Wikidata: Q82250397
• Mol file: 1753-20-4.mol

Synonyms:5-Bromo-4-nitrobenzo[c][1,2,5]selenadiazole;1753-20-4;5-BROMO-4-NITRO-2,1,3-BENZOSELENADIAZOLE;DTXSID60435450;AKOS016007818;4-Nitro-5-bromo-2,1,3-benzoselenadiazole;A881586

Chemical Property of 5-Bromo-4-nitrobenzo[c][1,2,5]selenadiazole

Chemical Property:

• PSA: 71.60000
• LogP: 1.88070
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 306.84956
• Heavy Atom Count: 13
• Complexity: 224

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-4-nitrobenzo[c][1,2,5]selenadiazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=N[Se]N=C2C(=C1Br)[N+](=O)[O-]

Technology Process of 5-Bromo-4-nitrobenzo[c][1,2,5]selenadiazole

There total 4 articles about 5-Bromo-4-nitrobenzo[c][1,2,5]selenadiazole 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: 86.0%

5-bromobenzo[c][1,2,5]selenadiazole (1753-19-1) → 5-bromo-4-nitrobenzo-2,1,3-selenadiazole (1753-20-4)

Guidance literature:

With phosphorus pentoxide; water; nitric acid; at 20 ℃;

DOI:10.1002/jhet.5570410629

Reference yield: 4.0%

5-bromobenzo[c][1,2,5]selenadiazole (1753-19-1) → 4-nitro-2,1,3-benzoselenadiazol-5-ol (147021-82-7) + 5-bromo-4-nitrobenzo-2,1,3-selenadiazole (1753-20-4)

Guidance literature:

With sulfuric acid; nitric acid; at 4 ℃; for 2h;

Reference yield:

5-bromo-2-nitroaniline (5228-61-5) → 5-bromo-4-nitrobenzo-2,1,3-selenadiazole (1753-20-4)

Guidance literature:

Multi-step reaction with 3 steps

1: SnCl₂*H₂O / ethyl acetate; ethanol / 0.58 h / 70 °C

2: aq. SeO₂ / ethanol / 0.5 h / Heating

3: concd. H₂SO₄, concd. HNO₃ / 1 h / 10 °C

With selenium(IV) oxide; sulfuric acid; nitric acid; tin(ll) chloride; In ethanol; ethyl acetate;

DOI:10.1021/jm00022a003

upstream raw materials:

5-bromobenzo[c][1,2,5]selenadiazole

5-bromo-2-nitroaniline

4-Bromo-benzene-1,2-diamine

Downstream raw materials:

4-bromo-3-nitro-1,2-phenylenediamine