7-Bromo-2,1,3-benzothiadiazole-4-sulfonyl chloride

Base Information

• Chemical Name: 7-Bromo-2,1,3-benzothiadiazole-4-sulfonyl chloride
• CAS No.: 41512-06-5
• Molecular Formula: C6H2BrClN2O2S2
• Molecular Weight: 313.57900
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10481109
• Wikidata: Q82316341
• Mol file: 41512-06-5.mol

Synonyms:7-bromo-2,1,3-benzothiadiazole-4-sulfonyl chloride;41512-06-5;7-Bromobenzo[c][1,2,5]thiadiazole-4-sulfonyl chloride;4-bromo-2,1,3-benzothiadiazole-7-sulfonyl chloride;7-bromobenzo[2,1,3]thiadiazole-4-sulfonyl chloride;DTXSID10481109;CCRGYQMMVHOUPE-UHFFFAOYSA-N;AKOS003597088;EN300-3209099;7-Bromobenzo[c][1,2,5]thiadiazole-4-sulfonylchloride

Chemical Property of 7-Bromo-2,1,3-benzothiadiazole-4-sulfonyl chloride

Chemical Property:

• Vapor Pressure: 7.64E-06mmHg at 25°C
• Melting Point: 141-142 °C
• Boiling Point: 386.9oC at 760 mmHg
• PKA: -5.34±0.50(Predicted)
• Flash Point: 187.8oC
• PSA: 96.54000
• Density: 2.058g/cm3
• LogP: 3.46210
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 311.84296
• Heavy Atom Count: 14
• Complexity: 320

Purity/Quality:

7-BROMO-2,1,3-BENZOTHIADIAZOLE-4-SULFONYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C2=NSN=C2C(=C1)Br)S(=O)(=O)Cl

Technology Process of 7-Bromo-2,1,3-benzothiadiazole-4-sulfonyl chloride

There total 2 articles about 7-Bromo-2,1,3-benzothiadiazole-4-sulfonyl chloride 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:

4-Bromo-benzo[1,2,5]thiadiazole (22034-13-5) → 7-bromobenzo[2,1,3]thiadiazole-4-sulfonyl chloride (41512-06-5)

Guidance literature:

With chlorosulfonic acid; at 140 ℃;

DOI:10.1007/BF00944497

Reference yield:

7-bromo-benzo[1,2,5]thiadiazole-4-sulfonic acid (41512-04-3) → 7-bromobenzo[2,1,3]thiadiazole-4-sulfonyl chloride (41512-06-5)

Guidance literature:

With chlorosulfonic acid; at 140 ℃;

DOI:10.1007/BF00944497

Reference yield: 23.0%

4-bromo-2-aminobenzoic acid piperidine amide (791098-10-7) + 7-bromobenzo[2,1,3]thiadiazole-4-sulfonyl chloride (41512-06-5) → 7-Bromo-benzo[1,2,5]thiadiazole-4-sulfonic acid [5-bromo-2-(piperidine-1-carbonyl)-phenyl]-amide

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃;

DOI:10.1021/jm060590x

upstream raw materials:

4-Bromo-benzo[1,2,5]thiadiazole

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

Downstream raw materials:

7-bromo-benzo[1,2,5]thiadiazole-4-sulfinic acid