1,1,1,2,3,3,3-Heptafluoro-2-isocyanatopropane

Base Information

• Chemical Name: 1,1,1,2,3,3,3-Heptafluoro-2-isocyanatopropane
• CAS No.: 34556-41-7
• Molecular Formula: C4F7NO
• Molecular Weight: 211.039
• DSSTox Substance ID: DTXSID40515522

Synonyms:1,1,1,2,3,3,3-Heptafluoro-2-isocyanatopropane;34556-41-7;perfluoroisopropyl isocyanate;DTXSID40515522;QHHYFCINZKLWPH-UHFFFAOYSA-N

Chemical Property of 1,1,1,2,3,3,3-Heptafluoro-2-isocyanatopropane

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 1
• Exact Mass: 210.98681076
• Heavy Atom Count: 13
• Complexity: 220

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=NC(C(F)(F)F)(C(F)(F)F)F)=O

Technology Process of 1,1,1,2,3,3,3-Heptafluoro-2-isocyanatopropane

There total 7 articles about 1,1,1,2,3,3,3-Heptafluoro-2-isocyanatopropane 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:

C8F16NO(1-)*Cs(1+) → 1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-propane (382-24-1) + perfluoroisopropyl isocyanate (34556-41-7)

Guidance literature:

With hydrogenchloride; In diethylene glycol dimethyl ether; for 2h;

Reference yield:

C13H5F15N2O (172325-74-5) + acetonitrile (75-05-8,26809-02-9) → 1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-propane (382-24-1) + perfluoroisobutylene (382-21-8) + perfluoroisopropyl isocyanate (34556-41-7) + 2-methyl-4,4-bis(trifluoromethyl)-6-perfluoro-tert-butyl-4H,1,3,5-oxadiazine (95541-82-5)

Guidance literature:

at 20 ℃; for 16h; Title compound not separated from byproducts;

DOI:10.1007/BF00697089

Reference yield:

hexafluoroacetone N-perfluoropivaloylimine (85093-52-3) → perfluoroisobutylene (382-21-8) + perfluoroisopropyl isocyanate (34556-41-7)

Guidance literature:

With pyridine; at 20 ℃; for 240h;

DOI:10.1007/BF00960270

upstream raw materials:

N,N'-dimethylbenzylamine

1-(perfluoro-tert-butyl)-3,3-bis(trifluoromethyl)aziridin-2-one

hexafluoroacetone N-perfluoropivaloylimine

N,N-dimethyl-aniline

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