Cyclohexyl nitrite

Base Information

• Chemical Name: Cyclohexyl nitrite
• CAS No.: 5156-40-1
• Molecular Formula: C6H11NO2
• Molecular Weight: 129.159
• Hs Code.: 2920909090
• UNII: 02XU02QRLX
• DSSTox Substance ID: DTXSID30337856
• Nikkaji Number: J108.743F
• Wikipedia: Cyclohexyl_nitrite
• Wikidata: Q5198717
• Mol file: 5156-40-1.mol

Synonyms:cyclohexyl nitrite

Chemical Property of Cyclohexyl nitrite

Chemical Property:

• Vapor Pressure: 8.27mmHg at 25°C
• Boiling Point: 138.7oC at 760 mmHg
• Flash Point: 36.8oC
• PSA: 38.66000
• Density: 1.18g/cm3
• LogP: 2.01710
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 129.078978594
• Heavy Atom Count: 9
• Complexity: 89.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

CYCLOHEXYL NITRITE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)ON=O

Technology Process of Cyclohexyl nitrite

There total 11 articles about Cyclohexyl nitrite 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: 94.0%

cyclohexanol (108-93-0) → cyclohexyl nitrite (5156-40-1)

Guidance literature:

With triphenylphosphine; tetrabutylammonium nitrite; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In acetonitrile; for 27h; Heating;

DOI:10.1055/s-2004-829122

Reference yield:

benzyl cyclohexyl ether (16224-09-2) → cyclohexyl nitrite (5156-40-1) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + benzaldehyde (100-52-7)

Guidance literature:

With Cu(NO₃)2-SiO₂; In tetrachloromethane; Heating;

DOI:10.1021/jo00308a018

Reference yield:

cyclohexane (110-82-7,25012-93-5) → cyclohexanone-oxime (100-64-1) + cyclohexyl nitrite (5156-40-1) + cyclohexanol (108-93-0)

Guidance literature:

With ammonium acetate; dihydrogen peroxide; In water; acetic acid; acetonitrile; at 110 ℃; for 4h; Reagent/catalyst; Solvent; Autoclave;

DOI:10.1039/c9cc09840b

upstream raw materials:

cyclohexane

cyclohexanol

benzyl cyclohexyl ether

nitric acid

Downstream raw materials:

cyclohexanone

cyclohexanol

ammonia

dinitrogen tetraoxide

Refernces

• 1、 -. "Synthetic method of alpha-cyanobenzoxime sodium". Paragraph 0024. . Retrieved 2021/01/29.
• 2、 -. "Method and device for continuously preparing alkyl nitrite through channelization". Paragraph 0035-0038. . Retrieved 2019/07/04.