5-Nitro-2H-tetrazole

Base Information

• Chemical Name: 5-Nitro-2H-tetrazole
• CAS No.: 55011-46-6
• Molecular Formula: CHN₅O₂
• Molecular Weight: 115.051
• DSSTox Substance ID: DTXSID60276628
• Nikkaji Number: J1.072.507K,J2.094.252E,J2.572.715K
• Wikidata: Q82007236
• Mol file: 55011-46-6.mol

Synonyms:5-nitrotetrazole;5-NITROTETRAZOL;5-Nitro-1H-tetrazol;5-nitro-1H-tetrazole;

Chemical Property of 5-Nitro-2H-tetrazole

Chemical Property:

• Vapor Pressure: 2.12E-07mmHg at 25°C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 424.1°C at 760 mmHg
• Flash Point: 210.3°C
• PSA: 100.28000
• Density: 1.941g/cm³
• LogP: -0.36890
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 115.01302429
• Heavy Atom Count: 8
• Complexity: 97.1

Purity/Quality:

99% ^*data from raw suppliers

5-NITRO-2H-TETRAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 3
• Hazard Codes: 3

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=NNN=N1)[N+](=O)[O-]

Technology Process of 5-Nitro-2H-tetrazole

There total 3 articles about 5-Nitro-2H-tetrazole 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: 72.0%

5-nitrotetrazole ammonium salt (79443-17-7) → 5-nitro-2H-tetrazole (55011-46-6)

Guidance literature:

5-nitrotetrazole ammonium salt; With potassium hydroxide; In water; Reflux;

With sulfuric acid; In water; Cooling with ice;

DOI:10.1039/b812529e

Reference yield: 63.0%

sodium 5-nitro-2H-1,2,3,4-tetrazol-2-ide (67312-43-0) → 5-nitrotetrazole (55011-46-6)

Guidance literature:

With sulfuric acid; water; at 5 - 10 ℃;

Reference yield:

5-aminotetrazole (4418-61-5) → 5-nitrotetrazole (55011-46-6)

Guidance literature:

With sulfuric acid; copper(II) sulfate; sodium nitrite;

upstream raw materials:

5-aminotetrazole

sodium 5-nitro-2H-1,2,3,4-tetrazol-2-ide

5-nitrotetrazole ammonium salt

Downstream raw materials:

hydrogen

tetramminebis(5-nitrotetrazolato)cobalt(III) perchlorate

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