4-Amino-5-chloro-2,1,3-benzothiadiazole

Base Information

• Chemical Name: 4-Amino-5-chloro-2,1,3-benzothiadiazole
• CAS No.: 30536-19-7
• Molecular Formula: C6H4ClN3S
• Molecular Weight: 185.637
• Hs Code.: 2934990002
• UNII: U6QN8431MF
• DSSTox Substance ID: DTXSID80184610
• Nikkaji Number: J2.640.918G
• Wikidata: Q27290761
• Mol file: 30536-19-7.mol

Synonyms:5-Chloro-4-amino-2,1,3-benzothiadiazole;

Chemical Property of 4-Amino-5-chloro-2,1,3-benzothiadiazole

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 0.000412mmHg at 25°C
• Melting Point: 89 °C
• Refractive Index: 1.781
• Boiling Point: 316.4 °C at 760 mmHg
• PKA: -0.16±0.48(Predicted)
• Flash Point: 145.1 °C
• PSA: 80.04000
• Density: 1.632 g/cm³
• LogP: 2.50810
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 184.9814460
• Heavy Atom Count: 11
• Complexity: 157

Purity/Quality:

99%, ^*data from raw suppliers

4-Amino-5-chloro-2,1,3-benzothiadiazole 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NSN=C2C(=C1Cl)N
• Uses: (Tizanidine EP Impurity E)

Technology Process of 4-Amino-5-chloro-2,1,3-benzothiadiazole

There total 2 articles about 4-Amino-5-chloro-2,1,3-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:

5-chloro-4-nito-2,1,3-benzothiadiazole (2274-89-7) → 4-amino-5-chloro-2,1,3-benzothiadiazole (30536-19-7,115398-34-0)

Guidance literature:

With iron;

Reference yield:

5-chloro-2,1,3-benzothiadiazole (2207-32-1) → 4-amino-5-chloro-2,1,3-benzothiadiazole (30536-19-7,115398-34-0)

Guidance literature:

Multi-step reaction with 2 steps

1: concentrated HNO₃; concentrated H₂SO₄

2: iron

With sulfuric acid; nitric acid; iron;

Reference yield: 93.6%

1-acetylimidazolidin-2-one (5391-39-9) + 4-amino-5-chloro-2,1,3-benzothiadiazole (30536-19-7,115398-34-0) → 5-chloro-N-(N-acetyl-4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine (173532-15-5)

Guidance literature:

With trichlorophosphate; In acetone; at 50 - 55 ℃; for 20h; Temperature; Solvent;

upstream raw materials:

5-chloro-4-nito-2,1,3-benzothiadiazole

5-chloro-2,1,3-benzothiadiazole

Downstream raw materials:

5,7-Dichlor-4-amino-benz<2,1,3>-thiadiazol

tizanidine

7-hydrazino-thiazolo[4',5':3,4]benzo[1,2-c][1,2,5]thiadiazole

tizanidine hydrochloride

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