3-Nitrofluoranthene

Base Information

• Chemical Name: 3-Nitrofluoranthene
• CAS No.: 892-21-7
• Molecular Formula: C16H9 N O2
• Molecular Weight: 247.253
• Hs Code.: 29042000
• European Community (EC) Number: 681-940-4
• NSC Number: 57468
• UNII: R9796OQK2M
• DSSTox Substance ID: DTXSID0074976
• Nikkaji Number: J551G
• Wikidata: Q27116002
• Metabolomics Workbench ID: 67630
• ChEMBL ID: CHEMBL350865
• Mol file: 892-21-7.mol

Synonyms:3-nitrofluoranthene

Chemical Property of 3-Nitrofluoranthene

Chemical Property:

• Vapor Pressure: 1.04E-07mmHg at 25°C
• Melting Point: 157-159 °C(lit.)
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 445.5°C at 760 mmHg
• Flash Point: 223.5°C
• PSA: 45.82000
• Density: 1.422g/cm³
• LogP: 4.91860
• Storage Temp.: 2-8°C
• XLogP3: 4.7
• 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:

98%,99%, ^*data from raw suppliers

3-Nitrofluoranthene technical grade, 90% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)[N+](=O)[O-]

Technology Process of 3-Nitrofluoranthene

There total 21 articles about 3-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: 76.0%

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

Guidance literature:

With sulfuric acid; nitric acid; silica gel; In dichloromethane; at 25 ℃; for 24h;

DOI:10.1080/00397919908085892

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

upstream raw materials:

fluoranthene

2-Amino-3-nitro-fluoranthen

nitric acid

acetic acid

Downstream raw materials:

2,4-dinitrofluoranthene

1,2,4-trinitrofluoranthene

6-Brom-2-nitro-fluoren-9-on

6-bromo-2-nitro-9-oxo-fluorene-1-carboxylic acid

Refernces

• 1、 Smith, Amy C.,Narvaez, Lorena D.,Akins, Bridget G.,Langford, Moses M.,Gary, Thomas,Geisler, Victoria J.,Khan, Farooq A.. "Nitration of polycyclic aromatic hydrocarbons using a supported catalyst". . p. 4187 - 4192. 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.