Phenyl nitrite

Base Information

• Chemical Name: Phenyl nitrite
• CAS No.: 34207-39-1
• Molecular Formula: C6H5NO2
• Molecular Weight: 123.111
• DSSTox Substance ID: DTXSID90517410
• Nikkaji Number: J661.250D
• Wikidata: Q82379399
• Mol file: 34207-39-1.mol

Synonyms:phenyl nitrite;phenylnitroso oxide;34207-39-1;SCHEMBL306544;DTXSID90517410

Chemical Property of Phenyl nitrite

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 123.032028402
• Heavy Atom Count: 9
• Complexity: 89.1

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)ON=O

Technology Process of Phenyl nitrite

There total 4 articles about Phenyl 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: 80.0%

phenol (108-95-2,27073-41-2) → nitrous-acid-phenyl-ester (34207-39-1)

Guidance literature:

With silver(I) nitrite; thionyl chloride; In tetrahydrofuran; at 25 ℃; for 3h; substrate/AgNO₂/SOCl₂ = 1 : 3 : 3;

DOI:10.1002/hlca.19840670332

Reference yield:

phenyl radical (2396-01-2) → phenoxy radical (2122-46-5,55748-05-5) + nitrobenzene (98-95-3,26969-40-4) + nitrous-acid-phenyl-ester (34207-39-1)

Guidance literature:

With Nitrogen dioxide; In gas; at 24.9 - 125.9 ℃; under 37.5 Torr; Rate constant; Thermodynamic data; E(activ.), ΔH_R;

DOI:10.1002/bbpc.19890931205

Reference yield:

phenoxy radical (2122-46-5,55748-05-5) → nitrous-acid-phenyl-ester (34207-39-1)

Guidance literature:

With nitrogen(II) oxide; at 280 ℃; Kinetics;

DOI:10.1021/jp972576p

upstream raw materials:

phenol

phenyl radical

methoxybenzene

phenoxy radical

Downstream raw materials:

phenol

Refernces

• 1、 Berho,Caralp,Rayez,Lesclaux,Ratajczak. "Kinetics and thermochemistry of the reversible combination reaction of the phenoxy radical with NO". . p. 1 - 8. Retrieved 1998.
• 2、 Platz,Nielsen,Wallington,Ball,Hurley,Straccia,Schneider,Sehested. "Atmospheric chemistry of the phenoxy radical, C6H5O(?): UV spectrum and kinetics of its reaction with NO, NO2, and O2". . p. 7964 - 7974. Retrieved 2007/10/03.