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

Base Information

• Chemical Name: 5-Bromobenzo[c][1,2,5]selenadiazole
• CAS No.: 1753-19-1
• Molecular Formula: C6H3BrN2Se
• Molecular Weight: 261.967
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID90440830
• Wikidata: Q82257260
• Mol file: 1753-19-1.mol

Synonyms:5-Bromobenzo[c][1,2,5]selenadiazole;1753-19-1;5-BROMO-2,1,3-BENZOSELENADIAZOLE;2,1,3-Benzoselenadiazole, 5-bromo-;DTXSID90440830;5-bromobenzo-2,1,3-selenadiazole;AKOS016007817;A881587

Chemical Property of 5-Bromobenzo[c][1,2,5]selenadiazole

Chemical Property:

• PSA: 25.78000
• LogP: 1.44930
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 261.86448
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

97% ^*data from raw suppliers

5-Bromobenzo[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

Technology Process of 5-Bromobenzo[c][1,2,5]selenadiazole

There total 3 articles about 5-Bromobenzo[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: 94.0%

4-Bromo-benzene-1,2-diamine (1575-37-7) → 5-bromobenzo[c][1,2,5]selenadiazole (1753-19-1)

Guidance literature:

With selenium(IV) oxide; In ethanol; water; for 4h; Reflux;

DOI:10.1039/d0cc05498d

Reference yield:

5-bromo-2-nitroaniline (5228-61-5) → 5-bromobenzo[c][1,2,5]selenadiazole (1753-19-1)

Guidance literature:

Multi-step reaction with 2 steps

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

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

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

DOI:10.1021/jm00022a003

Reference yield:

→ 5-bromobenzo[c][1,2,5]selenadiazole (1753-19-1)

Guidance literature:

1-Brom-3,4-diamino-benzol, SeO2, sd. wss. A.;

DOI:10.1039/jr9630004767

upstream raw materials:

4-Bromo-benzene-1,2-diamine

5-bromo-2-nitroaniline

Downstream raw materials:

5-bromo-4-nitrobenzo-2,1,3-selenadiazole

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

4-nitro-2,1,3-benzoselenadiazol-5-ol

Refernces

• 1、 Plano, Daniel,Moreno, Esther,Font, Maria,Encio, Ignacio,Palop, Juan Antonio,Sanmartin, Carmen. "Synthesis and in vitro anticancer activities of some selenadiazole derivatives". experimental part. p. 680 - 691. Retrieved 2011/09/15.