1,1,1-Trifluoro-2-nitroethane

Base Information

• Chemical Name: 1,1,1-Trifluoro-2-nitroethane
• CAS No.: 819-07-8
• Molecular Formula: C2H2 F3 N O2
• Molecular Weight: 129.039
• European Community (EC) Number: 825-543-8
• DSSTox Substance ID: DTXSID70335058
• Nikkaji Number: J663.731K
• Wikidata: Q82101169
• Mol file: 819-07-8.mol

Synonyms:1,1,1-trifluoro-2-nitroethane;819-07-8;1,1,1-TRIFLUORONITROETHANE;2,2,2-trifluoronitroethane;1,1,1-trifluoro-2-nitro-ethane;SCHEMBL1603795;DTXSID70335058;1,1,1-Trifluoro, 2-nitroethane;MFCD04973018;Ethane, 1,1,1-trifluoro-2-nitro-;AT25465;FT-0763995;EN300-86397

Chemical Property of 1,1,1-Trifluoro-2-nitroethane

Chemical Property:

• Refractive Index: 1.3394
• Boiling Point: 96°C (estimate)
• PSA: 45.82000
• Density: 1,46 g/cm3
• LogP: 1.34860
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 129.00376279
• Heavy Atom Count: 8
• Complexity: 92.4

Purity/Quality:

98%min ^*data from raw suppliers

1,1,1-Trifluoronitroethane ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1,1-Trifluoro-2-nitroethane

There total 5 articles about 1,1,1-Trifluoro-2-nitroethane 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:

Vinylidene fluoride (75-38-7) → 1,1,1-trifluoro-2-nitroethane (819-07-8)

Guidance literature:

With hydrogen fluoride; nitric acid; at -60 ℃;

DOI:10.1007/BF00843794

Reference yield:

1,1,1-trifluoropropane (421-07-8) → 1,1,1-trifluoro-2-nitroethane (819-07-8) + 1,1,1-trifluoro-3-nitropropane (461-35-8)

Guidance literature:

With water; nitric acid; at 400 ℃;

DOI:10.1021/ja01164a071

Reference yield:

nitroacetic acid (625-75-2) → 1,1,1-trifluoro-2-nitroethane (819-07-8)

Guidance literature:

With sulfur tetrafluoride; boron trifluoride; at 150 ℃; for 8h;

DOI:10.1016/0040-4020(70)80010-2

upstream raw materials:

1,1,1-trifluoropropane

Vinylidene fluoride

nitroacetic acid

nitric acid

Downstream raw materials:

trifluoroethylamine

1,1,1-Trifluor-2-nitro-5-phenyl-3-pentanol

1-Cyclohexyl-3,3,3-trifluor-2-nitro-1-propanol

3,3,3-Trifluor-2-nitro-1-phenyl-1-propanol

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