Nonyl nitrate

Base Information

• Chemical Name: Nonyl nitrate
• CAS No.: 20633-13-0
• Molecular Formula: C9H19 N O3
• Molecular Weight: 189.255
• Hs Code.: 2920909090
• DSSTox Substance ID: DTXSID50174664
• Wikidata: Q83044770
• Mol file: 20633-13-0.mol

Synonyms:Nonyl nitrate;Nitric acid, nonyl ester;20633-13-0;n-Nonyl nitrate;Nonyl-nitrat;nitric acid nonyl ester;SCHEMBL325033;DTXSID50174664;C23-H37-N-O2;Pregnan-20-one, 21-hydroxy-2-(1-pyrrolidinyl)-, (2.alpha.,5.beta.)-

Chemical Property of Nonyl nitrate

Chemical Property:

• Vapor Pressure: 0.0843mmHg at 25°C
• Boiling Point: 233.6°C at 760 mmHg
• Flash Point: 76.9°C
• PSA: 55.05000
• Density: 0.964g/cm³
• LogP: 3.46850
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 189.13649347
• Heavy Atom Count: 13
• Complexity: 123

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Nonyl nitrate

There total 4 articles about Nonyl nitrate 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%

nonyl alcohol (143-08-8) → nitric acid nonyl ester (20633-13-0)

Guidance literature:

With nitric acid; urea; europium(III) trifluoromethanesulfonate; In cyclohexane; at 95 ℃; for 14h; Schlenk technique;

DOI:10.1039/d0ob01519a

Reference yield:

1-Bromononane (693-58-3) → nitric acid nonyl ester (20633-13-0)

Guidance literature:

With mercurous nitrate; In 1,2-dimethoxyethane;

DOI:10.1016/S0040-4020(01)97118-2

Reference yield:

non-1-ene (124-11-8) → nitric acid nonyl ester (20633-13-0)

Guidance literature:

With lithium nitrate; In diethyl ether; water; acetonitrile; at 10 ℃; anodic oxidation condition;

DOI:10.1055/s-1994-25594

upstream raw materials:

nonyl alcohol

1-Bromononane

1-iodononane

non-1-ene

Downstream raw materials:

1-iodononane

nonyl alcohol

Refernces

• 1、 Yang, Xinhao,Luo, Feixian,Li, Junqi,Chen, Deyang,Ye,Lin, Weili,Jin, Jun. "Alkyl and aromatic nitrates in atmospheric particles determined by gas chromatography tandem mass spectrometry". . p. 2762 - 2770. Retrieved 2019/11/22.
• 2、 Schneider, Manfred,Ballschmiter, Karlheinz. "Separation of Diastereomeric and Enantiomeric Alkyl Nitrates - Systematic Approach to Chiral Discrimination on Cyclodextrin LIPODEX-D". . p. 539 - 544. Retrieved 2007/10/03.