5-Chloro-4-nitro-2,1,3-benzoselenadiazole

Base Information

• Chemical Name: 5-Chloro-4-nitro-2,1,3-benzoselenadiazole
• CAS No.: 20718-46-1
• Molecular Formula: C6H2ClN3O2Se
• Molecular Weight: 262.514
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID00402424
• Nikkaji Number: J2.136.676E,J443.283E
• Wikidata: Q82205835
• Mol file: 20718-46-1.mol

Synonyms:5-chloro-4-nitro-2,1,3-benzoselenadiazole;20718-46-1;2,1,3-Benzoselenadiazole, 5-chloro-4-nitro-;SCHEMBL259961;DTXSID00402424;TZPWJERFLDFTSH-UHFFFAOYSA-N;AKOS005108032;MS-2332;4-Nitro-5-chloro-2,1,3-benzoselenadiazole;FT-0664835;5-chloro-4-nitro-benzo[1,2,5]selenadiazole

Chemical Property of 5-Chloro-4-nitro-2,1,3-benzoselenadiazole

Chemical Property:

• Vapor Pressure: 6.76E-06mmHg at 25°C
• Melting Point: 232-233°C
• Boiling Point: 388.6oC at 760 mmHg
• Flash Point: 188.8oC
• PSA: 71.60000
• LogP: 1.77160
• Solubility.: DMOS, Ethyl Acetate, Methanol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 262.90008
• Heavy Atom Count: 13
• Complexity: 224

Purity/Quality:

97% ^*data from raw suppliers

5-Chloro-4-nitro-2,1,3-benzoselenadiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=N[Se]N=C2C(=C1Cl)[N+](=O)[O-]
• Uses: 5-Chloro-4-nitro-2,1,3-benzoselenadiazole (cas# 20718-46-1) is a compound useful in organic synthesis.

Technology Process of 5-Chloro-4-nitro-2,1,3-benzoselenadiazole

There total 6 articles about 5-Chloro-4-nitro-2,1,3-benzoselenadiazole 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: 99.0%

5-chloro-benzo[1,2,5]selenadiazole (1123-92-8,6343-86-8) → 5-chloro-4-nitro-2,1,3-benzoselenadiazole (20718-46-1)

Guidance literature:

With sulfuric acid; nitric acid; In water; at 0 - 5 ℃; for 2h;

Reference yield: 9.0%

5-chloro-benzo[1,2,5]selenadiazole (1123-92-8,6343-86-8) → 5-chloro-4-nitro-2,1,3-benzoselenadiazole (20718-46-1) + 4-nitro-2,1,3-benzoselenadiazol-5-ol (147021-82-7)

Guidance literature:

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

Reference yield:

4-Chloro-1,2-phenylenediamine (95-83-0) → 5-chloro-4-nitro-2,1,3-benzoselenadiazole (20718-46-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 66 percent / SeO₂

2: 90 percent / NaNO₃; aq. H₂SO₄ / 100 °C

With sodium nitrate; selenium(IV) oxide; sulfuric acid;

DOI:10.1023/B:RUGC.0000030402.66220.55

upstream raw materials:

5-chloro-benzo[1,2,5]selenadiazole

4-Chloro-1,2-phenylenediamine

4-Chloro-2-nitroaniline

5-chloro-2-nitroaniline

Downstream raw materials:

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

5-methylamino-4-nitro-2,1,3-benzoselenadiazole

5-chloro-2-phenylsulfanyl-1H-benzoimidazol-4-ylamine

5-chloro-4-nitro-2-phenylsulfanyl-1H-benzoimidazole

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