4,5-Dichloro-2,1,3-benzothiadiazole

Base Information

• Chemical Name: 4,5-Dichloro-2,1,3-benzothiadiazole
• CAS No.: 6662-87-9
• Molecular Formula: C6H2Cl2N2S
• Molecular Weight: 205.0645
• NSC Number: 202720
• DSSTox Substance ID: DTXSID20308217
• Wikidata: Q82055975
• Mol file: 6662-87-9.mol

Synonyms:4,5-dichloro-2,1,3-benzothiadiazole;6662-87-9;4,5-dichlorobenzo[c][1,2,5]thiadiazole;NSC202720;DTXSID20308217;NSC-202720

Chemical Property of 4,5-Dichloro-2,1,3-benzothiadiazole

Chemical Property:

• Vapor Pressure: 0.00415mmHg at 25°C
• Boiling Point: 288°C at 760 mmHg
• Flash Point: 128°C
• PSA: 54.02000
• Density: 1.662g/cm³
• LogP: 2.99810
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 203.9315746
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NSN=C2C(=C1Cl)Cl

Technology Process of 4,5-Dichloro-2,1,3-benzothiadiazole

There total 4 articles about 4,5-Dichloro-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:

benzo[1,2,5]thiadiazol-5-ylamine (874-37-3) → 4,5-Dichlor-benz<2,1,3>thiadiazol (6662-87-9)

Guidance literature:

Multi-step reaction with 2 steps

1: SO₃/H₂SO₄

2: (i) NaNO₂, aq. HCl, (ii) KClO₃

With sulfuric acid; sulfur trioxide;

Reference yield:

5-amino-benzo[1,2,5]thiadiazole-4-sulfonic acid (804426-90-2) → 4,5-Dichlor-benz<2,1,3>thiadiazol (6662-87-9)

Guidance literature:

Multistep reaction; (i) NaNO₂, aq. HCl, (ii) KClO₃;

Reference yield:

3,4-dichloro-1,2-phenylenediamine (1668-01-5) + N-phenylsulfinylamine (222851-56-1) → 4,5-Dichlor-benz<2,1,3>thiadiazol (6662-87-9)

Guidance literature:

upstream raw materials:

3,4-dichloro-1,2-phenylenediamine

N-phenylsulfinylamine

5-amino-benzo[1,2,5]thiadiazole-4-sulfonic acid

benzo[1,2,5]thiadiazol-5-ylamine

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