Cyclohexyl nitrate

Base Information

• Chemical Name: Cyclohexyl nitrate
• CAS No.: 2108-66-9
• Molecular Formula: C6H11 N O3
• Molecular Weight: 145.158
• Hs Code.: 2920909090
• European Community (EC) Number: 218-293-0
• DSSTox Substance ID: DTXSID70878834
• Wikidata: Q82860861
• Mol file: 2108-66-9.mol

Synonyms:Cyclohexyl nitrate;2108-66-9;nitric acid cyclohexyl ester;Nitric acid, cyclohexyl ester;SCHEMBL323260;DTXSID70878834;EINECS 218-293-0;AKOS006273292;FT-0693177

Chemical Property of Cyclohexyl nitrate

Chemical Property:

• Vapor Pressure: 0.684mmHg at 25°C
• Boiling Point: 192.3°Cat760mmHg
• Flash Point: 81.5°C
• PSA: 55.05000
• Density: 1.12g/cm³
• LogP: 2.05060
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 145.07389321
• Heavy Atom Count: 10
• Complexity: 115

Purity/Quality:

98%Min ^*data from raw suppliers

CYCLOHEXYL NITRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)O[N+](=O)[O-]

Technology Process of Cyclohexyl nitrate

There total 28 articles about Cyclohexyl 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: 95.6%

cyclohexanol (108-93-0) → cyclohexyl nitrate (2108-66-9)

Guidance literature:

With potassium fluoride; nitrylfluoride; In acetonitrile; at -30 - -20 ℃;

DOI:10.1007/BF02496138

Reference yield: 70.0%

cyclohexane (110-82-7,25012-93-5) → cyclohexyl nitrate (2108-66-9) + cyclohexanol (108-93-0) + 1-nitrocyclohexane (1122-60-7)

Guidance literature:

With N-hydroxyphthalimide; air; Nitrogen dioxide; at 70 ℃; for 14h;

DOI:10.1002/1521-3773(20010105)40:1<222::AID-ANIE222>3.0.CO;2-W

Reference yield: 43.0%

cyclohexane (110-82-7,25012-93-5) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + formic acid (64-18-6) + cyclohexyl nitrate (2108-66-9) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + acetylene (74-86-2,25067-58-7)

Guidance literature:

With water; nitrogen(II) oxide; for 5.71667h; Product distribution; Irradiation; further reaction times, initial conc.,;

DOI:10.1021/j150618a028

upstream raw materials:

cyclohexane

Cyclohexyl iodide

cyclohexanol

1-bromocyclohexane

Downstream raw materials:

ammonia

dinitrogen tetraoxide

cyclohexanol

cyclohexanone

Refernces

• 1、 Logvinov,Melnikova,Astrat'Ev. "Cyclohexanol nitration by a mixture of ammonium nitrate and sulfuric acid in a two-phase system". . p. 338 - 340. Retrieved 2011.
• 2、 Jian, Jian,You, Kuiyi,Duan, Xuezhi,Gao, Hongxu,Luo, Qing,Deng, Renjie,Liu, Pingle,Ai, Qiuhong,Luo, He'an. "Boosting one-step conversion of cyclohexane to adipic acid by NO2 and VPO composite catalysts". supporting information. p. 3320 - 3323. Retrieved 2016/02/27.