3-NITROBENZONITRILE

Base Information

• Chemical Name: 3-NITROBENZONITRILE
• CAS No.: 12402-46-9
• Molecular Formula: C7H4 N2 O2
• Molecular Weight: 148.121
• Mol file: 12402-46-9.mol

Synonyms:Benzonitrile,m-nitro-, radical ion(1-) (8CI); m-Cyanonitrobenzene radical anion;m-Nitrobenzonitrile radical anion

Chemical Property of 3-NITROBENZONITRILE

Chemical Property:

• Vapor Pressure: 0.014mmHg at 25°C
• Melting Point: 114-117 °C(lit.)
• Refractive Index: 1.579
• Boiling Point: 258.1°C at 760 mmHg
• Flash Point: 109.9°C
• PSA: 50.09000
• Density: 1.31g/cm³
• LogP: 1.20798

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/22
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-NITROBENZONITRILE

There total 7 articles about 3-NITROBENZONITRILE 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:

C8H4N2(1-) + 3-nitrobenzonitrile (619-24-9) → benzene-1,3-dicarbonitrile (626-17-5) + 3-Nitrobenzonitrile radical anion (12402-46-9)

Guidance literature:

Rate constant; Thermodynamic data; ΔG⁰;

DOI:10.1021/ja00278a014

Reference yield:

para-trifluoromethylbenzonitrile anion + 3-nitrobenzonitrile (619-24-9) → 4-CF3C6H4CN (455-18-5) + 3-Nitrobenzonitrile radical anion (12402-46-9)

Guidance literature:

at 100 ℃; Rate constant; Thermodynamic data; ΔG⁰;

DOI:10.1021/ja00278a014

Reference yield:

C8H4N2(1-) + 3-nitrobenzonitrile (619-24-9) → 3-Nitrobenzonitrile radical anion (12402-46-9) + phthalonitrile (91-15-6)

Guidance literature:

at 150 ℃; Rate constant; Thermodynamic data; ΔG⁰;

DOI:10.1021/ja00278a014

upstream raw materials:

nitrobenzene radical anion

3-nitrobenzonitrile

3-(α,α,α-Trifluoromethyl)nitrobenzene radical anion

maleic anhydride

Downstream raw materials:

3-nitrobenzonitrile

1,3-dinitrobenzene radical anion

Refernces

• 1、 Knighton, W. B.,Mock, R. S.,McGrew, D. S.,Grimsrud, E. P.. "Resonance Electron Capture Rate Constants for Substituted Nitrobenzenes". . p. 3770 - 3776. Retrieved 2007/10/02.
• 2、 Chowdhury, Swapan,Kebarle, Paul. "Electron Affinities of Di- and Tetracyanoethylene and Cyanobenzenes Based on Measurements of Gas-Phase Electron-Transfer Equilibria". . p. 5453 - 5459. Retrieved 2007/10/02.