1,1,1,3,5,5,5-Heptanitro-pentane

Base Information

• Chemical Name: 1,1,1,3,5,5,5-Heptanitro-pentane
• CAS No.: 20919-99-7
• Molecular Formula: C₅H₅N₇O₁₄
• Molecular Weight: 387.133
• Hs Code.: 2904209090
• DSSTox Substance ID: DTXSID90175079
• Nikkaji Number: J1.443.215I
• Wikidata: Q83045325
• Mol file: 20919-99-7.mol

Synonyms:1,1,1,3,5,5,5-Heptanitro-pentane;1,1,1,3,5,5,5-heptanitropentane;20919-99-7;SCHEMBL5573875;QCCFVJPIRFTNPO-UHFFFAOYSA-;DTXSID90175079;InChI=1/C5H5N7O14/c13-6(14)3(1-4(7(15)16,8(17)18)9(19)20)2-5(10(21)22,11(23)24)12(25)26/h3H,1-2H2

Chemical Property of 1,1,1,3,5,5,5-Heptanitro-pentane

Chemical Property:

• Vapor Pressure: 0.000303mmHg at 25°C
• Melting Point: 103-104 °C (decomp)
• Refractive Index: 1.6400 (estimate)
• Boiling Point: 321.2°Cat760mmHg
• PKA: 3.36±0.13(Predicted)
• Flash Point: 125.7°C
• PSA: 320.74000
• Density: 1.926g/cm³
• LogP: 2.04210
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 4
• Exact Mass: 386.98944786
• Heavy Atom Count: 26
• Complexity: 537

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1,1,1,3,5,5,5-Heptanitro-pentane

There total 5 articles about 1,1,1,3,5,5,5-Heptanitro-pentane 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: 86.0%

trinitromethane (517-25-9,57073-37-7) + 2-Nitro-1-propen-3-ol (104313-48-6) → 1,1,1,3,5,5,5-heptanitropentane (20919-99-7)

Guidance literature:

In water; at 20 ℃;

DOI:10.1007/BF00955434

Reference yield: 73.0%

nitroform potassium salt + 2-nitro-propane-1,3-diol; disodium salt → 1,1,1,3,5,5,5-heptanitropentane (20919-99-7)

Guidance literature:

With hydrogenchloride; In water; at 0 - 5 ℃; for 0.5h;

DOI:10.1007/BF00995687

Reference yield: 57.0%

1,1,1,5,5,5-Hexanitro-3-aci-nitro-pentane; compound with phenylamine → 1,1,1,3,5,5,5-heptanitropentane (20919-99-7)

Guidance literature:

With nitronium tetrafluoborate; In nitromethane; at -40 ℃; for 1h;

DOI:10.1007/BF00956604

upstream raw materials:

trinitromethane

2'-nitro-2'-propen-1'-yl acetate

2-Nitro-1-propen-3-ol

1,1,1,5,5,5-hexanitropentane-3-nitronic acid