Benzene, 4-methyl-2-nitro-1-nitroso-

Base Information

• Chemical Name: Benzene, 4-methyl-2-nitro-1-nitroso-
• CAS No.: 6971-33-1
• Molecular Formula: C7H6N2O3
• Molecular Weight: 166.136
• NSC Number: 405250,66501
• UNII: F8LJ6RFA6J
• DSSTox Substance ID: DTXSID7064526
• Nikkaji Number: J421.838H
• Wikidata: Q81991623
• Mol file: 6971-33-1.mol

Synonyms:3-Nitro-4-nitrosotoluene;Benzene, 4-methyl-2-nitro-1-nitroso-;6971-33-1;4-methyl-2-nitro-1-nitrosobenzene;Toluene, 3-nitro-4-nitroso-;NSC 66501;F8LJ6RFA6J;NSC-66501;NSC 405250;NSC-405250;UNII-F8LJ6RFA6J;DTXSID7064526;NSC66501;NSC405250;AKOS006274229

Chemical Property of Benzene, 4-methyl-2-nitro-1-nitroso-

Chemical Property:

• Vapor Pressure: 0.000639mmHg at 25°C
• Boiling Point: 319.3°Cat760mmHg
• Flash Point: 146.9°C
• PSA: 75.25000
• Density: 1.34g/cm³
• LogP: 2.82430
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 166.03784206
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)N=O)[N+](=O)[O-]

Technology Process of Benzene, 4-methyl-2-nitro-1-nitroso-

There total 6 articles about Benzene, 4-methyl-2-nitro-1-nitroso- 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: 89.0%

4-methyl-2-nitroaniline (89-62-3) → 4-methyl-2-nitro-1-nitrosobenzene (6971-33-1)

Guidance literature:

With dipotassium peroxodisulfate; sulfuric acid; for 24h;

Reference yield:

3,4-Dinitrotoluene (610-39-9) → 4-methyl-2-nitro-1-nitrosobenzene (6971-33-1)

Guidance literature:

With potassium hydroxide; hydroxylamine; Behandeln mit Wasser und Ansaeuern mit Salzsaeure;

Reference yield:

3,4-Dinitrotoluene (610-39-9) → 4-methyl-2-nitro-1-nitrosobenzene (6971-33-1) + 5-methyl-2-nitronitrosobenzene (474318-51-9)

Guidance literature:

With methanol; hydroxylamine;

upstream raw materials:

3,4-Dinitrotoluene

4-methyl-2-nitroaniline

water

methanol

Downstream raw materials:

3,4-dinitrobenzoic acid

3,4-Dinitrotoluene

(4-methyl-2-nitro-phenyl)-phenyl-diazene

(2-chloro-phenyl)-(4-methyl-2-nitro-phenyl)-diazene