2,4,7-Trinitrofluoren-9-one

Base Information

• Chemical Name: 2,4,7-Trinitrofluoren-9-one
• CAS No.: 129-79-3
• Molecular Formula: C13H5 N3 O7
• Molecular Weight: 315.199
• Hs Code.: 2914700090
• European Community (EC) Number: 204-965-0
• NSC Number: 12367
• UN Number: 0387
• UNII: B2290YT0WB
• DSSTox Substance ID: DTXSID1026245
• Nikkaji Number: J5.428C
• Wikidata: Q22133107
• ChEMBL ID: CHEMBL164435
• Mol file: 129-79-3.mol

Synonyms:2,4,7-trinitro-9-fluorenone;2,4,7-trinitrofluorenone

Chemical Property of 2,4,7-Trinitrofluoren-9-one

Chemical Property:

• Vapor Pressure: 1.2E-12mmHg at 25°C
• Melting Point: 176-178°C
• Refractive Index: 1.5600 (estimate)
• Boiling Point: 561.7 °C at 760 mmHg
• Flash Point: 292.3 °C
• PSA: 154.53000
• Density: 1.747 g/cm³
• LogP: 4.19220
• Storage Temp.: -20°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 315.01274951
• Heavy Atom Count: 23
• Complexity: 563
• Transport DOT Label: Explosive 1.1D

Purity/Quality:

99% ^*data from raw suppliers

Tumor Necrosis Factor-α from mouse TNF-α, recombinant, expressed in E. coli, powder, suitable for cell culture ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Suspected carcinogen. Mildly toxic by ingestion. A skin and eye irritant.
• Hazard Codes: Suspected carcinogen. Mildly toxic by ingestion. A skin and eye irritant.
• Statements: 23/24/25-33
• Safety Statements: 9-16-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=C2C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]
• Recent ClinicalTrials: A Two-blinded, Multicentre, Phase II/III RCT of Concurrent Chemo-radiotherapy Combined or Not Combined With TNF as the Therapy for LA-NPC
• Uses: Tumor Necrosis Factor-α from mouse, a potent proinflammatory cytokine has been used:to activate MS1 endothelium cellsto induce lipolysis in adipocytesto study its effect on liganded and unliganded glucocorticoid receptor (GR) in interleukin (IL)-6 and IL-8 gene regulation TNF-α influences the growth and function of both normal and neoplastic cells. TNF-α causes cytolysis or cytostasis of certain transformed cells being synergistic with γ-interferon in its cytotoxicity.

Technology Process of 2,4,7-Trinitrofluoren-9-one

There total 12 articles about 2,4,7-Trinitrofluoren-9-one 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: 94.0%

9-fluorenone (486-25-9,952573-42-1) → 2,4,7-trinitrofluorene-9-one (129-79-3)

Guidance literature:

With sulfuric acid; nitric acid; In water; for 2h; regioselective reaction; Reflux;

DOI:10.1080/00397910902838904

Reference yield: 79.0%

2,4,7-trinitrofluorene (34263-36-0) → 2,4,7-trinitrofluorene-9-one (129-79-3)

Guidance literature:

With sodium dichromate; acetic acid; In water; at 95 ℃; for 2h;

DOI:10.1039/d0cc01236j

Reference yield: 76.0%

2,4,7-tri-nitro-9,10-phenanthrenequinone (47430-58-0) → 2,4,7-trinitrofluorene-9-one (129-79-3)

Guidance literature:

With copper(l) chloride; In N,N-dimethyl-formamide; at 100 ℃; for 5h; Reagent/catalyst;

DOI:10.1134/S1070428013070117

upstream raw materials:

9-fluorenone

4-nitro-9-fluorenone

sulfuric acid

nitric acid

Downstream raw materials:

2,4,7-Trinitro-fluorenon-hydrazon

Refernces

• 1、 Andrievskii,Linko,Grachev. "Synthesis and reactions of trinitro-9,10-phenanthrenequinone derivatives". . p. 1025 - 1030. Retrieved 2013.
• 2、 Orchin,Woolfolk. "-". . p. 1727. Retrieved 1946.
• 3、 Ohkubo, Kei,Ortiz, Javier,Martin-Gomis, Luis,Fernandez-Lazaro, Fernando,Sastre-Santos, Angela,Fukuzumi, Shunichi. "Fullerene acting as an electron donor in a donor-acceptor dyad to attain the long-lived charge-separated state by complexation with scandium ion". . p. 589 - 591. Retrieved 2007.
• 4、 Zhang, Xin,Han, Jun-Bin,Li, Peng-Fei,Ji, Xuan,Zhang, Zhao. "Improved, highly efficient, and green synthesis of bromofluorenones and nitrofluorenones in water". . p. 3804 - 3815. Retrieved 2009.
• 5、 Orchin,Reggel,Woolfolk. "-". . p. 1225. Retrieved 1947.