4-nitro-2-(2H-tetrazol-5-yl)aniline

Base Information

• Chemical Name: 4-nitro-2-(2H-tetrazol-5-yl)aniline
• CAS No.: 54013-20-6
• Molecular Formula: C7H6N6O2
• Molecular Weight: 206.164
• DSSTox Substance ID: DTXSID30555235
• Nikkaji Number: J1.882.326H
• Wikidata: Q82436530
• Mol file: 54013-20-6.mol

Synonyms:54013-20-6;4-nitro-2-(2H-tetrazol-5-yl)aniline;SCHEMBL7207777;DTXSID30555235;SDDIMKLGAFMEFG-UHFFFAOYSA-N;5-(2-amino-5-nitrophenyl)tetrazole;EN300-338551;4-nitro-2-(1H-1,2,3,4-tetrazol-5-yl)aniline

Chemical Property of 4-nitro-2-(2H-tetrazol-5-yl)aniline

Chemical Property:

• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 206.05522346
• Heavy Atom Count: 15
• Complexity: 244

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C2=NNN=N2)N

Technology Process of 4-nitro-2-(2H-tetrazol-5-yl)aniline

There total 2 articles about 4-nitro-2-(2H-tetrazol-5-yl)aniline 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: 96.0%

5-nitroanthranilonitrile (17420-30-3) → 5-(2'-amino-5'-nitrophenyl)-1H-tetrazole (54013-20-6)

Guidance literature:

With sodium azide; In dimethyl sulfoxide; at 110 ℃; for 0.833333h; Green chemistry;

DOI:10.1039/c5ra08147e

Reference yield:

→ 5-(2'-amino-5'-nitrophenyl)-1H-tetrazole (54013-20-6)

Guidance literature:

Reference yield: 72.0%

β-naphthol (135-19-3) + 5-(2'-amino-5'-nitrophenyl)-1H-tetrazole (54013-20-6) → 1-{[(4'-nitro-2'-tetrazoyl)phenyl]diazenyl}naphthalene-2-ol

Guidance literature:

5-(2'-amino-5'-nitrophenyl)-1H-tetrazole; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 0.5h;

β-naphthol; With sodium acetate; sodium hydroxide; In water; at 0 - 4 ℃; for 3h; pH=4 - 5;

DOI:10.1016/j.molstruc.2021.131749

upstream raw materials:

5-nitroanthranilonitrile

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