2-(1H-tetrazol-1-yl)aniline

Base Information

• Chemical Name: 2-(1H-tetrazol-1-yl)aniline
• CAS No.: 14210-51-6
• Molecular Formula: C7H7N5
• Molecular Weight: 161.16
• European Community (EC) Number: 889-382-5
• DSSTox Substance ID: DTXSID70576045
• Nikkaji Number: J2.629.959D
• Wikidata: Q82465557
• Mol file: 14210-51-6.mol

Synonyms:2-(1H-tetrazol-1-yl)aniline;14210-51-6;2-(tetrazol-1-yl)aniline;2-(1H-1,2,3,4-tetrazol-1-yl)aniline;MFCD08059719;2-(1H-tetrazol-1-yl)benzenamine;Benzenamine, 2-(1H-tetrazol-1-yl)-;1-(aminophenyl)tetrazole;SCHEMBL5330184;DTXSID70576045;AKOS000132385;SB76044;VS-02144;2-(1H-Tetrazol-1-yl)aniline, AldrichCPR;CS-0248405;EN300-39768;D88014;J-007599;Z255119060

Chemical Property of 2-(1H-tetrazol-1-yl)aniline

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 98-99 °C
• Boiling Point: 366.121°C at 760 mmHg
• PKA: 1.26±0.10(Predicted)
• Flash Point: 175.224°C
• PSA: 69.62000
• Density: 1.467g/cm³
• LogP: 0.82570
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 161.07014524
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

98%min ^*data from raw suppliers

2-(1H-Tetrazol-1-yl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)N)N2C=NN=N2

Technology Process of 2-(1H-tetrazol-1-yl)aniline

There total 2 articles about 2-(1H-tetrazol-1-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: 84.0%

1-(2-nitrophenyl)-1H-1,2,3,4-tetrazole (14210-50-5) → 2-(tetrazol-1-yl)phenylamine (14210-51-6)

Guidance literature:

With tin(ll) chloride; In ethanol; for 1.5h; Heating;

DOI:10.1016/j.tet.2008.07.003

Reference yield:

2-nitro-aniline (88-74-4) → 2-(tetrazol-1-yl)phenylamine (14210-51-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / sodium azide / acetic acid / 4 h / 95 - 100 °C

2: H₂ / PtO₂ / ethanol

With sodium azide; hydrogen; platinum(IV) oxide; In ethanol; acetic acid;

DOI:10.1007/BF00476984

Reference yield: 68.0%

2-(tetrazol-1-yl)phenylamine (14210-51-6) + 4-bromo-benzaldehyde (1122-91-4) → 4-(4-bromo-phenyl)-tetrazolo[1,5-a]quinoxaline (1063940-07-7)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 12h; Heating;

DOI:10.1016/j.tet.2008.07.003

upstream raw materials:

1-(2-nitrophenyl)-1H-1,2,3,4-tetrazole

2-nitro-aniline

Downstream raw materials:

1,1′-(1,2-phenylene)bis(1H-1,2,3,4-tetrazole)

4-p-tolyl-tetrazolo[1,5-a]quinoxaline

4-(4-chloro-phenyl)-tetrazolo[1,5-a]quinoxaline

4-(2-hydroxyphenyl)-tetrazolo[1,5-a]quinoxaline

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