2-Fluoro-2,2-dinitroethanol

Base Information

• Chemical Name: 2-Fluoro-2,2-dinitroethanol
• CAS No.: 17003-75-7
• Molecular Formula: C2H3 F N2 O5
• Molecular Weight: 154.055
• European Community (EC) Number: 241-080-9
• DSSTox Substance ID: DTXSID2066141
• Nikkaji Number: J49.830K
• Wikidata: Q81992719
• Mol file: 17003-75-7.mol

Synonyms:2-Fluoro-2,2-dinitroethanol;17003-75-7;Ethanol, 2-fluoro-2,2-dinitro-;2,2-Dinitro-2-fluoroethanol;BRN 1841612;EINECS 241-080-9;ETHANOL, 2,2-DINITRO-2-FLUORO-;C2H3FN2O5;SCHEMBL1700920;DTXSID2066141;2-fluoro-2,2-dinitroethan-1-ol;C2-H3-F-N2-O5;AKOS006276826;LS-66717

Chemical Property of 2-Fluoro-2,2-dinitroethanol

Chemical Property:

• Vapor Pressure: 0.0292mmHg at 25°C
• Boiling Point: 217°Cat760mmHg
• PKA: 11.14±0.10(Predicted)
• Flash Point: 85°C
• PSA: 111.87000
• Density: 1.709g/cm³
• LogP: 0.20180
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 154.00259936
• Heavy Atom Count: 10
• Complexity: 144

Purity/Quality:

99% ^*data from raw suppliers

2-FLUORO-2,2-DINITROETHANOL 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)O

Technology Process of 2-Fluoro-2,2-dinitroethanol

There total 13 articles about 2-Fluoro-2,2-dinitroethanol 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%

potassium 2-hydroxy-1,1-dinitroethane-1-ide (6928-29-6) → 2-fluoro-2,2-dinitroethanol (17003-75-7)

Guidance literature:

With water; Selectfluor; at 0 - 20 ℃; for 2h; Temperature;

Reference yield: 75.0%

fluorotrinitromethane (1840-42-2) → 2-fluoro-2,2-dinitroethanol (17003-75-7)

Guidance literature:

With NaOH; H₂O₂; CH₂O; In methanol; water; NaOH, 30% H2O2 and CH2O dissolved in H2O and CF(NO2)3 in CH3OH at 5°C 20-25 min;

Reference yield: 45.0%

potassium 2,2-dinitroethanol → 2-fluoro-2,2-dinitroethanol (17003-75-7)

Guidance literature:

With calcium fluoride; fluorine; at -40 ℃;

DOI:10.1007/BF00955979

upstream raw materials:

2,2-dinitroethanol

formaldehyd

fluorodinitromethane

fluorotrinitromethane

Downstream raw materials:

1,7-difluoro-1,1,7,7-tetranitro-3,5-dioxaheptane

bis-(2-fluoro-2,2-dinitro-ethoxymethyl) ether

bis-(2-fluoro-2,2-dinitro-ethoxymethoxy)-methane

bis(2-fluoro-2,2-dinitroethyl) adipate