2-NITROCYCLOHEXANONE

Base Information

• Chemical Name: 2-NITROCYCLOHEXANONE
• CAS No.: 4883-67-4
• Molecular Formula: C6H9 N O3
• Molecular Weight: 143.142
• Hs Code.: 2914700090
• Mol file: 4883-67-4.mol

Synonyms:2-Nitrocyclohexanone;a-Nitrocyclohexanone

Chemical Property of 2-NITROCYCLOHEXANONE

Chemical Property:

• Vapor Pressure: 0.00598mmHg at 25°C
• Melting Point: 39-43 °C(lit.)
• Refractive Index: 1.479
• Boiling Point: 272.7°C at 760 mmHg
• PKA: 5.84±0.20(Predicted)
• Flash Point: >230 °F
• PSA: 62.89000
• Density: 1.19g/cm³
• LogP: 1.29800

Purity/Quality:

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

2-Nitro-cyclohexanone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 2-NITROCYCLOHEXANONE

There total 14 articles about 2-NITROCYCLOHEXANONE 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: 100.0%

1-cyclohexenyl acetate (1424-22-2) → 2-nitrocyclohexanone (4883-67-4)

Guidance literature:

With ammonium nitrate; trifluoroacetic anhydride; In chloroform; for 1h; Ambient temperature;

DOI:10.1055/s-1983-30417

Reference yield: 70.0%

tetranitromethane (509-14-8) + 1-(Trimethylsilyloxy)cyclohexene (6651-36-1) → trinitromethane (517-25-9,57073-37-7) + 2-nitrocyclohexanone (4883-67-4)

Guidance literature:

In dichloromethane; for 16h; Ambient temperature; further conditions: irradiation;

DOI:10.1021/jo9515687

Reference yield: 70.0%

cyclohexene (110-83-8) → 2-nitrocyclohexanone (4883-67-4)

Guidance literature:

With Salpetersaeuretrimethylsilylester; dimethyl sulfoxide; In acetonitrile; at -10 - 20 ℃; for 3h;

DOI:10.1021/jo980167z

upstream raw materials:

2-nitrocyclohexanol

cyclohexanone

1-cyclohexenyl acetate

cyclohexene

Downstream raw materials:

(2-Nitro-cyclohex-1-enyl)-phenyl-amine

(2-Nitro-cyclohex-1-enyl)-o-tolyl-amine

1-Methylthio-2-nitro-cyclohexen

1,1-Bis(methylthio)-2-nitrocyclohexan

Refernces

• 1、 Siani, Gabriella,Angelini, Guido,De Maria, Paolo,Fontana, Antonella,Pierini, Marco. "Solvent effects on the rate of the keto-enol interconversion of 2-nitrocyclohexanone". supporting information; experimental part. p. 4236 - 4241. Retrieved 2009/02/07.
• 2、 Angelini, Guido,Chiappe, Cinzia,De Maria, Paolo,Fontana, Antonella,Gasparrini, Francesco,Pieraccini, Daniela,Pierini, Marco,Siani, Gabriella. "Determination of the polarities of some ionic liquids using 2-nitrocyclohexanone as the probe". . p. 8193 - 8196. Retrieved 2007/10/03.