2-Fluoro-N-(2-fluoro-2,2-dinitroethyl)-2,2-dinitro-ethylamine

Base Information

• Chemical Name: 2-Fluoro-N-(2-fluoro-2,2-dinitroethyl)-2,2-dinitro-ethylamine
• CAS No.: 18139-03-2
• Molecular Formula: C4H5F2N5O8
• Molecular Weight: 289.11
• DSSTox Substance ID: DTXSID50171133
• Nikkaji Number: J1.446.605C
• Wikidata: Q83041216
• Mol file: 18139-03-2.mol

Synonyms:18139-03-2;2-Fluoro-N-(2-fluoro-2,2-dinitroethyl)-2,2-dinitro-ethylamine;Bis(2-fluoro-2,2-dinitroethyl)amine;2-fluoro-N-(2-fluoro-2,2-dinitroethyl)-2,2-dinitroethanamine;SCHEMBL9498242;DTXSID50171133;UOXCYHLFALVKNS-UHFFFAOYSA-N;STL334934;AKOS022141673;bis-(2-fluoro-2,2-dinitroethyl)amine;bis(2-fluoro-2,2-dinitro-ethyl)-amine

Chemical Property of 2-Fluoro-N-(2-fluoro-2,2-dinitroethyl)-2,2-dinitro-ethylamine

Chemical Property:

• Vapor Pressure: 5.49E-05mmHg at 25°C
• Melting Point: 42-43 °C
• Boiling Point: 347.1°C at 760 mmHg
• PKA: -0.82±0.20(Predicted)
• Flash Point: 163.7°C
• PSA: 195.31000
• Density: 1.747g/cm³
• LogP: 1.41310
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 289.01061846
• Heavy Atom Count: 19
• Complexity: 339

Purity/Quality:

99% ^*data from raw suppliers

2-FLUORO-N-(2-FLUORO-2,2-DINITROETHYL)-2,2-DINITROETHANAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Fluoro-N-(2-fluoro-2,2-dinitroethyl)-2,2-dinitro-ethylamine

There total 5 articles about 2-Fluoro-N-(2-fluoro-2,2-dinitroethyl)-2,2-dinitro-ethylamine 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:

2-fluoro-2,2-dinitroethanol (17003-75-7) → Bis-(2-fluor-2,2-dinitroethyl)-amin (18139-03-2)

Guidance literature:

With ammonium hydroxide; In methanol; water; for 24h; Heating;

DOI:10.1021/jo00838a012

Reference yield:

tert-Butyl-bis-(2-fluoro-2,2-dinitro-ethyl)-amine (29925-40-4) → Bis-(2-fluor-2,2-dinitroethyl)-amin (18139-03-2)

Guidance literature:

With trifluoroacetic acid; In dichloromethane;

DOI:10.1021/jo00814a022

Reference yield:

2-fluoro-2,2-dinitroethanol (17003-75-7) + 2-fluoro-2,2-dinitro-ethylamine (18139-02-1) → Bis-(2-fluor-2,2-dinitroethyl)-amin (18139-03-2)

Guidance literature:

In methanol; water; for 24h; Heating;

DOI:10.1021/jo00838a012

upstream raw materials:

tris-ethoxymethyl-amine

fluorodinitromethane

2-fluoro-2,2-dinitroethanol

2-fluoro-2,2-dinitro-ethylamine

Downstream raw materials:

1,5-difluoro-1,1,3,5,5-pentanitro-3-azapentane

bis(2-fluoro-2,2-dinitroethyl)-N-nitrosoamine