5-Nitro-1,2,3-benzothiadiazole

Base Information

• Chemical Name: 5-Nitro-1,2,3-benzothiadiazole
• CAS No.: 13599-78-5
• Molecular Formula: C6H3N3O2S
• DSSTox Substance ID: DTXSID30500341
• Wikidata: Q82351854
• Mol file: 13599-78-5.mol

Synonyms:5-Nitrobenzo[d][1,2,3]thiadiazole;13599-78-5;5-nitro-1,2,3-benzothiadiazole;1,2,3-Benzothiadiazole, 5-nitro-;5-nitrobenzothiadiazole;SCHEMBL2595211;DTXSID30500341;ZILDNWITORTJMS-UHFFFAOYSA-N;MFCD02667407;AKOS016024006;BS-49199;CS-0529670;E85193

Chemical Property of 5-Nitro-1,2,3-benzothiadiazole

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 180.99459752
• Heavy Atom Count: 12
• Complexity: 196

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])N=NS2

Technology Process of 5-Nitro-1,2,3-benzothiadiazole

There total 9 articles about 5-Nitro-1,2,3-benzothiadiazole 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: 93.6%

2-amino-4-nitrobenzenethiol (7686-29-5) → 5-Nitro-1,2,3-benzothiadiazol (13599-78-5)

Guidance literature:

With sodium nitrite; In water; at 220 ℃; for 0.25h; under 22502.3 Torr; Temperature; Pressure;

Reference yield: 64.0%

H2NC6H3(Cl)NO2 (6283-25-6) → 5-Nitro-1,2,3-benzothiadiazol (13599-78-5)

Guidance literature:

H₂NC₆H₃(Cl)NO₂; With sodium sulfide; sodium hydrogencarbonate; In ethanol; water; at 110 ℃; for 1h;

With sulfuric acid; sodium nitrite; In ethanol; water; at 20 ℃; for 1h;

Reference yield:

benzo[1,2,3]thiadiazole (273-77-8) → 7-nitro-1,2,3-benzothiadiazole (31859-99-1) + 4-nitro-benzo[1,2,3]thiadiazole (13599-79-6) + 5-Nitro-1,2,3-benzothiadiazol (13599-78-5)

Guidance literature:

With sulfuric acid; potassium nitrate; at 10 - 20 ℃; for 16.5h;

upstream raw materials:

2-amino-4-nitrobenzenethiol

benzo[1,2,3]thiadiazole

H₂NC₆H₃(Cl)NO₂

sulfuric acid

Downstream raw materials:

1,2,3-benzothiadiazol-5-amine