1-Nitro-3-nitrosobenzene

Base Information

• Chemical Name: 1-Nitro-3-nitrosobenzene
• CAS No.: 17122-21-3
• Molecular Formula: C6H4 N2 O3
• Molecular Weight: 152.109
• Hs Code.: 2904209090
• DSSTox Substance ID: DTXSID90169034
• Nikkaji Number: J489.621A
• Wikidata: Q83038678
• Mol file: 17122-21-3.mol

Synonyms:1-nitro-3-nitrosobenzene;3-nitrosonitrobenzene

Chemical Property of 1-Nitro-3-nitrosobenzene

Chemical Property:

• Vapor Pressure: 0.00858mmHg at 25°C
• Refractive Index: 1.4738 (estimate)
• Boiling Point: 275.4°Cat760mmHg
• Flash Point: 120.3°C
• PSA: 75.25000
• Density: 1.41g/cm³
• LogP: 2.51590
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 152.02219199
• Heavy Atom Count: 11
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])N=O

Technology Process of 1-Nitro-3-nitrosobenzene

There total 10 articles about 1-Nitro-3-nitrosobenzene 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%

3-nitro-aniline (99-09-2) → 1-nitro-3-nitrosobenzene (17122-21-3)

Guidance literature:

With Oxone; In dichloromethane; water; at 20 ℃; for 1h;

DOI:10.1021/ol500381c

Reference yield: 5.0%

3-nitrophenyl azide (1516-59-2) → meta-dinitrobenzene (99-65-0) + 1-nitro-3-nitrosobenzene (17122-21-3) + 3,3'-dinitro azoxybenzene (1230-85-9,71298-01-6) + 3,3'-dinitroazobenzene (4103-30-4)

Guidance literature:

With oxygen; In acetonitrile; Product distribution; Irradiation; effect of the power of irradiation; reaction in the absence of oxygen;

DOI:10.1021/ja00259a032

Reference yield:

3-nitro-aniline (99-09-2) → meta-dinitrobenzene (99-65-0) + 1-nitro-3-nitrosobenzene (17122-21-3) + 3,3'-dinitro azoxybenzene (1230-85-9,71298-01-6)

Guidance literature:

upstream raw materials:

meta-dinitrobenzene

N-(3-nitrophenyl)hydroxylamine

peracetic acid

3-nitro-aniline

Downstream raw materials:

(E)-1,2-bis(3-nitrophenyl)diazene

(2,4-dinitro-phenyl)-[3-(3-nitro-phenyl)-1,5-dihydro-1,4-epioxido-benzo[e][1,2]oxazepin-4-yl]-amine

trans-3-amino-2',4',6'-triisopropylazobenzene

cis,cis-2,4,6-triisopropyl-3'-(phenylazo)azobenzene