Nitric acid, hexyl ester

Base Information

• Chemical Name: Nitric acid, hexyl ester
• CAS No.: 20633-11-8
• Molecular Formula: C6H13 N O3
• Molecular Weight: 147.174
• Hs Code.: 2920909090
• European Community (EC) Number: 243-928-3
• UNII: QZY6PB9CHV
• DSSTox Substance ID: DTXSID8066636
• Wikidata: Q81993212
• Mol file: 20633-11-8.mol

Synonyms:HEXYL NITRATE;Nitric acid, hexyl ester;20633-11-8;n-Hexyl nitrate;QZY6PB9CHV;EINECS 243-928-3;72245-27-3;Hexyl nitrate #;UNII-QZY6PB9CHV;SCHEMBL36624;DTXSID8066636;AKOS040767084

Chemical Property of Nitric acid, hexyl ester

Chemical Property:

• Vapor Pressure: 1.35mmHg at 25°C
• Melting Point: 0°C
• Refractive Index: 1.4143 (estimate)
• Boiling Point: 178.3°Cat760mmHg
• Flash Point: 62.8°C
• PSA: 55.05000
• Density: 1.003g/cm³
• LogP: 2.29820
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 147.08954328
• Heavy Atom Count: 10
• Complexity: 89.5

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrates and Nitrites
• Canonical SMILES: CCCCCCO[N+](=O)[O-]

Technology Process of Nitric acid, hexyl ester

There total 13 articles about Nitric acid, hexyl ester 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: 97.0%

hexan-1-ol (111-27-3) → n-hexyl nitrate (20633-11-8)

Guidance literature:

With carbon dioxide; dinitrogen pentoxide; at 0 ℃; for 0.5h; under 45004.5 - 60006 Torr; Autoclave;

DOI:10.1016/j.mencom.2012.03.004

Reference yield: 68.0%

N-Hexyl-2,4,6-triphenylpyridinium nitrate (73377-41-0) → n-hexyl nitrate (20633-11-8)

Guidance literature:

at 230 ℃; for 3h; under 15 Torr;

DOI:10.1021/jo01300a054

Reference yield: 30.0%

trifluoroacetic anhydride (407-25-0) + hexan-1-ol (111-27-3) → n-hexyl nitrate (20633-11-8) + hexyl trifluoroacetate (400-61-3)

Guidance literature:

trifluoroacetic anhydride; With lithium nitrate; In acetonitrile; at 20 ℃;

hexan-1-ol; With sodium carbonate; In acetonitrile; at 0 ℃; for 3h;

DOI:10.1039/c0nj00881h

upstream raw materials:

1-bromo-hexane

n-hexyl chloroformate

hexan-1-ol

1-hexene

Downstream raw materials:

heptanenitrile

1-Iodohexane

hexan-1-ol

dinitrogen tetraoxide