1-Nitrofluoranthene

Base Information

• Chemical Name: 1-Nitrofluoranthene
• CAS No.: 13177-28-1
• Molecular Formula: C16H9 N O2
• Molecular Weight: 247.25
• Hs Code.: 2904209090
• UNII: 87UV3TW2B9
• DSSTox Substance ID: DTXSID00157200
• Nikkaji Number: J541.828C
• ChEMBL ID: CHEMBL351184
• Mol file: 13177-28-1.mol

Synonyms:1-Nitrofluoranthene;Fluoranthene, 1-nitro-;13177-28-1;CCRIS 5509;BRN 2562309;87UV3TW2B9;1-Nitro-fluoranthene;NITROFLUORANTHENE;UNII-87UV3TW2B9;CHEMBL351184;SCHEMBL4377088;DTXSID00157200;LS-69142

Chemical Property of 1-Nitrofluoranthene

Chemical Property:

• Vapor Pressure: 4.63E-08mmHg at 25°C
• Boiling Point: 455.7°C at 760 mmHg
• Flash Point: 230.3°C
• PSA: 45.82000
• Density: 1.422g/cm³
• LogP: 4.91860
• XLogP3: 4.3
• 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

1-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=C3C2=C(C=C4)[N+](=O)[O-]

Technology Process of 1-Nitrofluoranthene

There total 15 articles about 1-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: 53.0%

1-Nitro-2,3-dihydrofluoranthene (33611-87-9) → 1-Nitrofluoranthene (13177-28-1)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In xylene; for 48h; Heating;

DOI:10.1002/recl.19921110701

Reference yield: 30.0%

fluoranthene (206-44-0) → 3-nitrofluoranthene (892-21-7) + 8-Nitrofluoranthene (13177-32-7) + 1,2-dinitrofluoranthene (33611-88-0) + 1-Nitrofluoranthene (13177-28-1) + 7-nitrofluoranthene (13177-31-6) + 2-nitrofluoranthene (13177-29-2)

Guidance literature:

With dinitrogen pentoxide; In chloroform; at 25 ℃; Mechanism; Product distribution; effect of temp., ratio of N₂O₅/fluoranthene, var. nitrating agents;

DOI:10.1021/ja00274a045

upstream raw materials:

1-Nitro-2,3-dihydrofluoranthene

fluoranthene

2,3-Dihydrofluoranthene

1,2,3,10b-tetrahydrofluoranthene

Downstream raw materials:

1-Amino-fluoranthen

Refernces

• 1、 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.
• 2、 Squadrito, Giuseppe L.,Church, Daniel F.,Pryor, William A.. "Anomalous Nitration of Fluoranthene with Nitrogen Dioxide in Carbon Tetrachloride". . p. 6535 - 6537. Retrieved 2007/10/02.