1,4,5-Trinitronaphthalene

Base Information

• Chemical Name: 1,4,5-Trinitronaphthalene
• CAS No.: 2243-95-0
• Molecular Formula: C10H5N3O6
• Molecular Weight: 263.166
• Hs Code.: 2904209090
• DSSTox Substance ID: DTXSID70176963
• Nikkaji Number: J134.713F
• Wikidata: Q83047287
• Mol file: 2243-95-0.mol

Synonyms:1,4,5-Trinitronaphthalene;2243-95-0;Naphthalene, 1,4,5-trinitro-;1,4,5-Trinitronaphthalen;1,4,5-Trinitro-naphthalin;SCHEMBL10526689;DTXSID70176963;InChI=1/C10H5N3O6/c14-11(15)7-4-5-9(13(18)19)10-6(7)2-1-3-8(10)12(16)17/h1-5;FT-0634162

Chemical Property of 1,4,5-Trinitronaphthalene

Chemical Property:

• Vapor Pressure: 2.53E-08mmHg at 25°C
• Melting Point: 147.8-148.3 °C
• Refractive Index: 1.733
• Boiling Point: 463.3 °C at 760 mmHg
• Flash Point: 241.9 °C
• PSA: 137.46000
• Density: 1.654 g/cm³
• LogP: 4.13400
• Water Solubility.: 40mg/L(15 oC)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 263.01783489
• Heavy Atom Count: 19
• Complexity: 398

Purity/Quality:

98%min ^*data from raw suppliers

1,4,5-TRINITRONAPHTHALENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC(=C2C(=C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 1,4,5-Trinitronaphthalene

There total 12 articles about 1,4,5-Trinitronaphthalene 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: 91.0%

1,5-dinitronaphthalene (605-71-0) → 1,4,5-trinitronaphthalene (2243-95-0)

Guidance literature:

With sulfuric acid; nitric acid; for 3h; cooling;

DOI:10.1021/ol061913m

Reference yield:

1,8-dinitronaphthalene (602-38-0) → 1,4,5-trinitronaphthalene (2243-95-0) + 1,3,8-trinitronaphthalene (2364-46-7)

Guidance literature:

With sulfuric acid; nitric acid; at 95 ℃;

Reference yield:

C10H6N3O7(1-)*Na(1+) → 1,4,5-trinitronaphthalene (2243-95-0)

Guidance literature:

With (decomposition); In 1,4-dioxane; sodium hydroxide; at 25 ℃; Equilibrium constant; Rate constant;

DOI:10.1039/P29750001751

upstream raw materials:

1,8-dinitronaphthalene

1,5-dinitronaphthalene

sulfuric acid

nitric acid

Downstream raw materials:

3-nitrophthalic acid

3,6-dinitrobenzene-1,2-dioic acid

5,8-Dihydroxy-1,4-naphthoquinone

3,5-dinitrophthalic acid

Refernces

• 1、 Havlik, Martin,Kral, Vladimir,Dolensky, Bohumil. "Overcoming regioselectivity issues inherent in bis-Troeger's base preparation". . p. 4867 - 4870. Retrieved 2007/10/03.