Sodium benzo[d][1,2,3]triazol-1-ide

Base Information

• Chemical Name: Sodium benzo[d][1,2,3]triazol-1-ide
• CAS No.: 15217-42-2
• Molecular Formula: C6H4N3Na
• Molecular Weight: 141.108
• Hs Code.: 2933990090
• Mol file: 15217-42-2.mol

Synonyms:Sodium benzotriazole;Sodium benzo[d][1,2,3]triazol-1-ide;SCHEMBL416513;BMOKHTQIBPRXSL-UHFFFAOYSA-N

Chemical Property of Sodium benzo[d][1,2,3]triazol-1-ide

Chemical Property:

• Appearance/Colour: Clear light yellow liquid
• Vapor Pressure: 0.00491mmHg at 25°C
• Melting Point: -15oC
• Boiling Point: 276.1 °C at 760 mmHg
• PKA: 8.37[at 20 ℃]
• Flash Point: 133.9 °C
• PSA: 38.67000
• Density: 1.13-1.19 g/ml(24 C).
• LogP: 0.58700
• Water Solubility.: 1000g/L at 20℃
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 142.03811645
• Heavy Atom Count: 10
• Complexity: 92.5

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC2=NNN=C2C=C1.[Na]

Technology Process of Sodium benzo[d][1,2,3]triazol-1-ide

There total 1 articles about Sodium benzo[d][1,2,3]triazol-1-ide 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: 97.0%

1,2,3-Benzotriazole (95-14-7,27556-51-0) → sodium benzotriazolate (15217-42-2)

Guidance literature:

With sodium methylate; In methanol;

Reference yield: 91.0%

iodobenzene (591-50-4) + sodium benzotriazolate (15217-42-2) → 1-phenyl-1H-benzotriazole (883-39-6)

Guidance literature:

With copper(l) iodide; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In tetrahydrofuran; at 80 ℃; for 12h; Inert atmosphere;

Reference yield: 80.0%

1-ferrocenylphenylmethanol + sodium benzotriazolate (15217-42-2) → 1-[ferrocenyl(phenyl)methyl]-1H-benzotriazole (101006-60-4)

Guidance literature:

With tetrafluoroboric acid; In dichloromethane; water; byproducts: NaBF4; addn. of aq. HBF4 to mixt. of sodium benzotriazolide and Fe complex in CH2Cl2 with rapid stirring; maintaining, 1,75 h; evapn.; addn. of ether;washing ethereal soln. (water); drying over Na2SO4; evapn.; crystn. (hexane); elem. anal.;

DOI:10.1007/BF00956100

upstream raw materials:

1,2,3-Benzotriazole

Downstream raw materials:

di-tert-butyl nitroxide

bis(benzotriazolo)(4-methylphenyl)methane

α-(N-benzotriazol-2-yl)-p-phenylacetophenone phenylhydrazone

α-(N-benzotriazol-1-yl)-p-phenylacetophenone phenylhydrazone

Refernces