2,7-Dinitrofluorene

Base Information

• Chemical Name: 2,7-Dinitrofluorene
• CAS No.: 5405-53-8
• Molecular Formula: C13H8 N2 O4
• Molecular Weight: 256.218
• Hs Code.: 29042090
• European Community (EC) Number: 226-457-8
• NSC Number: 5180
• UNII: D67MT7ZUY3
• DSSTox Substance ID: DTXSID8075253
• Nikkaji Number: J34.725F
• Wikidata: Q69757905
• ChEMBL ID: CHEMBL167848
• Mol file: 5405-53-8.mol

Synonyms:2,7-dinitrofluorene;2,7-dNF

Chemical Property of 2,7-Dinitrofluorene

Chemical Property:

• Appearance/Colour: light yellow powder
• Vapor Pressure: 6.45E-08mmHg at 25°C
• Melting Point: 330-334°C
• Refractive Index: 1.705
• Boiling Point: 451.5 °C at 760 mmHg
• Flash Point: 229.9 °C
• PSA: 91.64000
• Density: 1.489 g/cm³
• LogP: 4.12060
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 256.04840674
• Heavy Atom Count: 19
• Complexity: 353

Purity/Quality:

99% ^*data from raw suppliers

2,7-Dinitrofluorene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 40
• Safety Statements: 7-22-36/37/39-45-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: C1C2=C(C=CC(=C2)[N+](=O)[O-])C3=C1C=C(C=C3)[N+](=O)[O-]
• Uses: 2,7-Dinitrofluorene was used as a reagent in the synthesis of benzidine and diaminofluorene prolinamide derivatives which are potent hepatitis C virus NS5A inhibitors. Also used in the synthesis of symmetric anionic polymethine dyes derived from fluorene.

Technology Process of 2,7-Dinitrofluorene

There total 10 articles about 2,7-Dinitrofluorene 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:

9H-fluorene (86-73-7) → 2,7-dinitro-9H-fluorene (5405-53-8)

Guidance literature:

(nitration);

DOI:10.1016/0040-4020(72)88161-4

Reference yield:

9H-fluorene (86-73-7) → 2,7-dinitro-9H-fluorene (5405-53-8) + 2,5-dinitrofluorene (15110-74-4)

Guidance literature:

With dinitrogen trioxide; acetic acid; at 90 - 95 ℃;

Reference yield:

2-nitro-9H-fluorene (607-57-8) → 2,7-dinitro-9H-fluorene (5405-53-8)

Guidance literature:

With nitric acid; acetic acid; at 20 ℃; for 5h;

DOI:10.1021/jo035204n

upstream raw materials:

9H-fluorene

2-nitro-9H-fluorene

nitric acid

acetic acid

Downstream raw materials:

9-(4-chloro-benzylidene)-2,7-dinitro-fluorene

2,7-diamino-fluorene dihydrochloride

2,7-diaminofluoren-9-one

2,7-Bis-benzamino-9-(4-methyl-benzyliden)-fluoren

Refernces

• 1、 Saroja, Ginagunta,Pingzhu, Zhang,Ernsting, Nikolaus P.,Liebscher, Juergen. "Synthesis of Alkylated Aminofluorenes by Palladium-Catalyzed Substitution at Halofluorenes". . p. 987 - 990. Retrieved 2007/10/03.