Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester

Base Information

• Chemical Name: Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
• CAS No.: 377-00-4
• Molecular Formula: C5H2F7NO
• Molecular Weight: 225.06
• Hs Code.: 2929109000
• DSSTox Substance ID: DTXSID10191135
• Nikkaji Number: J41.089F
• Mol file: 377-00-4.mol

Synonyms:377-00-4;ISOCYANIC ACID, 2,2,3,3,4,4,4-HEPTAFLUOROBUTYL ESTER;2,2,3,3,4,4,4-Heptafluorobutyl isocyanate;BRN 1711589;4-04-00-00613 (Beilstein Handbook Reference);1,1,1,2,2,3,3-heptafluoro-4-isocyanatobutane;C5H2F7NO;SCHEMBL6361615;DTXSID10191135;C5-H2-F7-N-O;NLGMQMZUOBUPCW-UHFFFAOYSA-N;LS-84449;EN300-1933798

Chemical Property of Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester

Chemical Property:

• Vapor Pressure: 72.8mmHg at 25°C
• Boiling Point: 84.3°C at 760 mmHg
• Flash Point: 19°C
• PSA: 29.43000
• Density: 1.48g/cm³
• LogP: 2.15510
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 225.00246082
• Heavy Atom Count: 14
• Complexity: 251

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester

There total 1 articles about Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester 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:

phosgene (75-44-5) + 2,2,3,3,4,4,4-heptafluorobutylamine (374-99-2) → 1.1-Dihydro-perfluor-butyl-isocyanat (377-00-4)

Guidance literature:

Multistep reaction; (i) HCl, (ii) /BRN= 1098367/;

DOI:10.1007/BF00901328

upstream raw materials:

phosgene

2,2,3,3,4,4,4-heptafluorobutylamine