7-Nitrofluoranthene

Base Information

• Chemical Name: 7-Nitrofluoranthene
• CAS No.: 13177-31-6
• Molecular Formula: C₁₆H₉NO₂
• Molecular Weight: 247.253
• Hs Code.: 2904209090
• DSSTox Substance ID: DTXSID60157201
• Nikkaji Number: J264.612I
• Wikidata: Q83025357
• ChEMBL ID: CHEMBL355315
• Mol file: 13177-31-6.mol

Synonyms:7-Nitrofluoranthene;FLUORANTHENE, 7-NITRO-;13177-31-6;CCRIS 5512;BRN 2562310;7-Nitro-fluoranthene;CHEMBL355315;DTXSID60157201;LS-69145

Chemical Property of 7-Nitrofluoranthene

Chemical Property:

• Vapor Pressure: 4.63E-08mmHg at 25°C
• 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:

97% ^*data from raw suppliers

7-NITROFLUORANTHENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)C4=C(C3=CC=C2)C(=CC=C4)[N+](=O)[O-]

Technology Process of 7-Nitrofluoranthene

There total 15 articles about 7-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) + 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: 56.0%

7-Nitro-1,10b-dihydrofluoranthene (143836-68-4) → 7-nitrofluoranthene (13177-31-6)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In toluene; for 2h; 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:

fluoranthene

7-Nitro-1,10b-dihydrofluoranthene

9H-fluorene

3-(fluoren-9-yl)propionic acid

Downstream raw materials:

7-Amino-fluoranthen