6-Azidohexanenitrile

Base Information

• Chemical Name: 6-Azidohexanenitrile
• CAS No.: 89488-73-3
• Molecular Formula: C6H11N4+
• Molecular Weight: 138.172
• NSC Number: 137893
• DSSTox Substance ID: DTXSID00398494
• Nikkaji Number: J832.401H
• Wikidata: Q82200505
• Mol file: 89488-73-3.mol

Synonyms:6-azidohexanenitrile;89488-73-3;SCHEMBL15229401;DTXSID00398494;NSC137893;NSC-137893

Chemical Property of 6-Azidohexanenitrile

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 138.090546336
• Heavy Atom Count: 10
• Complexity: 160

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(CCC#N)CCN=[N+]=[N-]

Technology Process of 6-Azidohexanenitrile

There total 3 articles about 6-Azidohexanenitrile 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: 100.0%

6-bromo-1-hexanenitrile (6621-59-6) → 1-azido-5-cyano-pentane (89488-73-3)

Guidance literature:

With sodium azide; In N,N-dimethyl-formamide; at 80 ℃;

DOI:10.1021/jacs.6b04061

Reference yield:

→ 1-azido-5-cyano-pentane (89488-73-3)

Guidance literature:

With methanol; sodium azide;

Reference yield:

→ 1-azido-5-cyano-pentane (89488-73-3)

Guidance literature:

With sodium azide; In dimethyl sulfoxide; at 0 - 20 ℃;

upstream raw materials:

6-bromo-1-hexanenitrile

Downstream raw materials:

6-(4-phenyl-1H-1,2,3-triazol-1-yl)hexanenitrile

1-amino-5-cyanopentane