1,2,3-Benzothiadiazole-5-carboxaldehyde

Base Information

• Chemical Name: 1,2,3-Benzothiadiazole-5-carboxaldehyde
• CAS No.: 394223-15-5
• Molecular Formula: C7H4N2OS
• Molecular Weight: 164.188
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30594245
• Wikidata: Q72445624
• Mol file: 394223-15-5.mol

Synonyms:1,2,3-Benzothiadiazole-5-carboxaldehyde;394223-15-5;1,2,3-benzothiadiazole-5-carbaldehyde;benzo[d][1,2,3]thiadiazole-5-carbaldehyde;5-formylbenzothiadiazole;EthylenediamineMonohydrate;SCHEMBL2767305;DTXSID30594245;BWKIBIZZLRPKFY-UHFFFAOYSA-N;AMY24741;MFCD08690236;AKOS015918235;PS-4119;benzo[1,2,3]thiadiazole-5-carboxaldehyde;DB-069809;A6595;CS-0212137;F77609;1,2,3-benzothiadiazole-5-carbaldehyde, AldrichCPR

Chemical Property of 1,2,3-Benzothiadiazole-5-carboxaldehyde

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 102-104 °C
• Refractive Index: 1.753
• Boiling Point: 306.728 °C at 760 mmHg
• Flash Point: 139.305 °C
• PSA: 71.09000
• Density: 1.477 g/cm³
• LogP: 1.50380
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 164.00443393
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

1,2,3-Benzothiadiazole-5-carboxaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C=O)N=NS2

Technology Process of 1,2,3-Benzothiadiazole-5-carboxaldehyde

There total 3 articles about 1,2,3-Benzothiadiazole-5-carboxaldehyde 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[1,2,3]thiadiazol-5-yl-methanol (615568-10-0) → benzo[d] [1,2,3 ]thiadiazole-5-carbaldehyde (394223-15-5)

Guidance literature:

With manganese(IV) oxide;

Reference yield:

methyl benzo[d][1,2,3]thiadiazole-5-carboxylate (23616-15-1) → benzo[d] [1,2,3 ]thiadiazole-5-carbaldehyde (394223-15-5)

Guidance literature:

Reference yield:

→ benzo[d] [1,2,3 ]thiadiazole-5-carbaldehyde (394223-15-5)

Guidance literature:

upstream raw materials:

methyl benzo[d][1,2,3]thiadiazole-5-carboxylate

benzo[1,2,3]thiadiazol-5-yl-methanol

Downstream raw materials:

C₁₈H₁₈N₄O₂S

Refernces

• 1、 -. "Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity". . . Retrieved 2008/06/13.