1,6-dinitrohexane

Base Information

• Chemical Name: 1,6-dinitrohexane
• CAS No.: 4286-47-9
• Molecular Formula: C₆H₁₂N₂O₄
• Molecular Weight: 176.172
• NSC Number: 3676
• DSSTox Substance ID: DTXSID20277717
• Wikidata: Q82009067
• Mol file: 4286-47-9.mol

Synonyms:1,6-Dinitrohexane;NSC 3676

Chemical Property of 1,6-dinitrohexane

Chemical Property:

• Vapor Pressure: 0.00204mmHg at 25°C
• Boiling Point: 290.7°Cat760mmHg
• Flash Point: 135.2°C
• Density: 1.15g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 176.07970687
• Heavy Atom Count: 12
• Complexity: 131

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCC[N+](=O)[O-])CC[N+](=O)[O-]

Technology Process of 1,6-dinitrohexane

There total 4 articles about 1,6-dinitrohexane 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: 77.0%

1,6-diiodohexane (629-09-4) → 1,6-dinitrohexane (4286-47-9)

Guidance literature:

With silver nitrate; In water; at 25 ℃; for 12h;

DOI:10.1002/anie.201908593

Reference yield:

1 ,6-dibromohexane (629-03-8) → 1,6-dinitrohexane (4286-47-9)

Guidance literature:

With urea; sodium nitrite; In N,N-dimethyl-formamide;

DOI:10.1021/jo01073a623

Reference yield:

2,7-dinitro-cycloheptanone; dipotassium salt → 1,6-dinitrohexane (4286-47-9)

Guidance literature:

With 2-Picolinic acid; In water;

DOI:10.1021/jo01273a058

upstream raw materials:

1,6-diiodohexane

1 ,6-dibromohexane

Downstream raw materials:

1,8-Bis-<4-nitro-phenyl>-2,7-dinitro-octadien-(1,7)

1,8-Bis-<4-brom-phenyl>-2,7-dinitro-octadien-(1,7)

1,8-Bis-<4-methyl-phenyl>-2,7-dinitro-octadien-(1,7)

1,8-Bis-(4-methoxy-phenyl)-2,7-dinitro-octadien-(1,7)

Refernces

• 1、 Feuer,Anderson. "". . p. 2960,2961. Retrieved 1961.
• 2、 Adebomi, Victor,Mahesh, Sriram,Muneeswaran, Zilma P.,Raj, Monika. "Bioinspired Nitroalkylation for Selective Protein Modification and Peptide Stapling". supporting information. p. 2793 - 2801. Retrieved 2020/01/25.