2-Nitrofluoranthene

Base Information

• Chemical Name: 2-Nitrofluoranthene
• CAS No.: 13177-29-2
• Molecular Formula: C16H9 N O2
• Molecular Weight: 247.253
• Hs Code.: 2904209090
• UNII: S5CB71I99S
• DSSTox Substance ID: DTXSID0075071
• Nikkaji Number: J282.503A
• Wikidata: Q27893894
• ChEMBL ID: CHEMBL166867
• Mol file: 13177-29-2.mol

Synonyms:2-nitrofluoranthene

Chemical Property of 2-Nitrofluoranthene

Chemical Property:

• Vapor Pressure: 4.63E-08mmHg at 25°C
• Melting Point: 151-153 °C
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 455.7°Cat760mmHg
• Flash Point: 230.3°C
• PSA: 45.82000
• Density: 1.422g/cm³
• LogP: 4.91860
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 247.063328530
• Heavy Atom Count: 19
• Complexity: 377

Purity/Quality:

99% ^*data from raw suppliers

2-NITROFLUORANTHENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC4=CC(=CC2=C43)[N+](=O)[O-]

Technology Process of 2-Nitrofluoranthene

There total 19 articles about 2-Nitrofluoranthene 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: 60.0%

fluoranthene (206-44-0) → 3-nitrofluoranthene (892-21-7) + 8-Nitrofluoranthene (13177-32-7) + 1-Nitrofluoranthene (13177-28-1) + 2-nitrofluoranthene (13177-29-2)

Guidance literature:

With dinitrogen tetroxide; Nitrogen dioxide; nitrosonium tetrafluoroborate; In tetrachloromethane; at 24.5 - 25.5 ℃; Further byproducts given;

DOI:10.1021/jo00296a015

Reference yield: 60.0%

fluoranthene (206-44-0) → 3-nitrofluoranthene (892-21-7) + 8-Nitrofluoranthene (13177-32-7) + 7-nitrofluoranthene (13177-31-6) + 2-nitrofluoranthene (13177-29-2)

Guidance literature:

With dinitrogen tetroxide; Nitrogen dioxide; nitrosonium tetrafluoroborate; In tetrachloromethane; at 24.5 - 25.5 ℃; Further byproducts given;

DOI:10.1021/jo00296a015

Reference yield: 58.0%

fluoranthene (206-44-0) → 3-nitrofluoranthene (892-21-7) + 1,2-dinitrofluoranthene (33611-88-0) + 2-nitrofluoranthene (13177-29-2) + 1,3-dinitrofluoranthene (110419-21-1)

Guidance literature:

With Nitrogen dioxide; In tetrachloromethane; at 24.5 - 25.5 ℃; Further byproducts given;

DOI:10.1021/jo00296a015

upstream raw materials:

fluoranthene

1,10b-dihydrofluoranthene

Ethyl 3-<9-(methoxycarbonyl)-9H-fluoren-9-yl>propionate

Downstream raw materials:

2-Aminofluoranthene

2-Acetamidofluoranthene

5-nitrofluoranthene 2,3-oxide

2,5-dinitrofluoranthene

Refernces

• 1、 Inazu, Koji,Kobayashi, Takaaki,Hisamatsu, Yoshiharu. "Formation of mutagenic nitrofluoranthenes in the gas-solid heterogeneous reaction of particle-associated fluoranthene in NO2-O3-O2 system". . p. 1105 - 1106. Retrieved 2007/10/03.
• 2、 Haeringen, C. J. van,Aten, N. F.,Cornelisse, J.,Lugtenburg, J.. "Synthesis and characterization of nitro-, nitroso-, and aminofluoranthenes". . p. 335 - 344. Retrieved 2007/10/02.