4-Iodo-2,1,3-benzothiadiazole

Base Information

• Chemical Name: 4-Iodo-2,1,3-benzothiadiazole
• CAS No.: 352018-95-2
• Molecular Formula: C₆H₃IN₂S
• Molecular Weight: 262.074
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10379956
• Nikkaji Number: J2.941.454H
• Wikidata: Q82169980
• Mol file: 352018-95-2.mol

Synonyms:4-iodo-2,1,3-benzothiadiazole;352018-95-2;4-Iodobenzo[c][1,2,5]thiadiazole;C6H3IN2S;SCHEMBL4017136;DTXSID10379956;ROPRWVSWECJQIC-UHFFFAOYSA-N;4-iodo-benzo[1,2,5]thiadiazole;4-iodo-[2,1,3]-benzothiadiazole;MFCD02681904;AS-31427;4-iodo-2,1,3-benzothiadiazole, AldrichCPR;CS-0316099;FT-0618762;A822644;J-515547

Chemical Property of 4-Iodo-2,1,3-benzothiadiazole

Chemical Property:

• Vapor Pressure: 0.00229mmHg at 25°C
• Melting Point: 96 °C
• Refractive Index: 1.791
• Boiling Point: 298.2 °C at 760 mmHg
• PKA: -0.93±0.45(Predicted)
• Flash Point: 134.1 °C
• PSA: 54.02000
• Density: 2.156 g/cm³
• LogP: 2.29590
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 261.90617
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

97% ^*data from raw suppliers

4-Iodobenzo[c][1,2,5]thiadiazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NSN=C2C(=C1)I

Technology Process of 4-Iodo-2,1,3-benzothiadiazole

There total 1 articles about 4-Iodo-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: 85.0%

benzo[1,2,5]thiadiazole (273-13-2,22706-22-5) → 4-iodobenzo[c][1,2,5]thiadiazole (352018-95-2)

Guidance literature:

benzo[1,2,5]thiadiazole; With bis(2,2,6,6-tetramethylpiperidin-1-yl)magnesium-bis(lithium chloride) complex; In tetrahydrofuran; at -40 ℃; for 14h; Inert atmosphere;

With iodine; In tetrahydrofuran; at -40 - 25 ℃; for 3h; Inert atmosphere;

DOI:10.1055/s-0030-1259966

upstream raw materials:

benzo[1,2,5]thiadiazole

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