m-(1,1,2,2-Tetrafluoroethoxy)phenyl isocyanate

Base Information

• Chemical Name: m-(1,1,2,2-Tetrafluoroethoxy)phenyl isocyanate
• CAS No.: 50844-57-0
• Molecular Formula: C9H5 F4 N O2
• Molecular Weight: 235.138
• Hs Code.: 2929109000
• European Community (EC) Number: 256-795-1
• DSSTox Substance ID: DTXSID90198884
• Mol file: 50844-57-0.mol

Synonyms:m-(1,1,2,2-Tetrafluoroethoxy)phenyl isocyanate;50844-57-0;EINECS 256-795-1;1-isocyanato-3-(1,1,2,2-tetrafluoroethoxy)benzene;C9H5F4NO2;SCHEMBL11531834;DTXSID90198884;QIGRBWQBVSSVQX-UHFFFAOYSA-N;C9-H5-F4-N-O2;AKOS040752885;Benzene, 1-isocyanato-3-(1,1,2,2-tetrafluoroethoxy)-

Chemical Property of m-(1,1,2,2-Tetrafluoroethoxy)phenyl isocyanate

Chemical Property:

• Vapor Pressure: 0.0619mmHg at 25°C
• Boiling Point: 231.6°Cat760mmHg
• Flash Point: 93.8°C
• PSA: 38.66000
• Density: 1.34g/cm³
• LogP: 2.89060
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 235.02564105
• Heavy Atom Count: 16
• Complexity: 279

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)OC(C(F)F)(F)F)N=C=O

Technology Process of m-(1,1,2,2-Tetrafluoroethoxy)phenyl isocyanate

There total 1 articles about m-(1,1,2,2-Tetrafluoroethoxy)phenyl isocyanate 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:

→ m-(1,1,2,2-tetrafluoroethoxy)phenyl isocyanate (50844-57-0)

Guidance literature:

3-Nitro-phenol, F2C=CF2;

Reference yield:

m-(1,1,2,2-tetrafluoroethoxy)phenyl isocyanate (50844-57-0) + dimethyl amine (124-40-3) → 3-(3-[1',1',2',2'-tetrafluoroethoxy]phenyl)-1,1-dimethylurea (27954-37-6)

Guidance literature:

In Petroleum ether;

Reference yield:

m-(1,1,2,2-tetrafluoroethoxy)phenyl isocyanate (50844-57-0) + 3,5-Bis-(trifluoromethyl)aniline (328-74-5) → 3-(1,1,2,2-tetrafluoroethoxy)-3',5'-bis(trifluoromethyl)carbanilide (55225-50-8)

Guidance literature:

With triethylamine; In benzene; Heating;

Downstream raw materials:

3-(3-[1',1',2',2'-tetrafluoroethoxy]phenyl)-1,1-dimethylurea

C₁₁H₁₂F₄N₂O₃

3-(1,1,2,2-tetrafluoroethoxy)-3',5'-bis(trifluoromethyl)carbanilide

1-Methyl-3-[3-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-urea