1,3-Bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)urea

Base Information

• Chemical Name: 1,3-Bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)urea
• CAS No.: 1543-55-1
• Molecular Formula: C17H6 F30 N2 O
• Molecular Weight: 824.1944
• NSC Number: 126286
• DSSTox Substance ID: DTXSID90298797
• Wikidata: Q82040847
• Mol file: 1543-55-1.mol

Synonyms:1,3-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)urea;1543-55-1;NSC126286;DTXSID90298797;NSC-126286

Chemical Property of 1,3-Bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)urea

Chemical Property:

• Vapor Pressure: 2.71E-05mmHg at 25°C
• Boiling Point: 357.5°Cat760mmHg
• Flash Point: 170°C
• Density: 1.688g/cm³
• XLogP3: 9.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 31
• Rotatable Bond Count: 14
• Exact Mass: 824.0001077
• Heavy Atom Count: 50
• Complexity: 1130

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(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NC(=O)NCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Technology Process of 1,3-Bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)urea

There total 7 articles about 1,3-Bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)urea 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:

pentadecafluorooctanoyl chloride (335-64-8) → N,N-Bis-<1.1-dihydro-perfluor-octyl>-harnstoff (1543-55-1)

Guidance literature:

Multi-step reaction with 5 steps

1: NH₃ / diethyl ether

2: P₂O₅ / 200 °C

3: LiAlH₄

4: (i) HCl, (ii) /BRN= 1098367/

5: H₂O

With lithium aluminium tetrahydride; ammonia; water; phosphorus pentoxide; In diethyl ether;

DOI:10.1007/BF00901328

Reference yield:

Perfluorooctanoic acid (335-67-1) → N,N-Bis-<1.1-dihydro-perfluor-octyl>-harnstoff (1543-55-1)

Guidance literature:

Multi-step reaction with 6 steps

1: PCl₅

2: NH₃ / diethyl ether

3: P₂O₅ / 200 °C

4: LiAlH₄

5: (i) HCl, (ii) /BRN= 1098367/

6: H₂O

With lithium aluminium tetrahydride; phosphorus pentachloride; ammonia; water; phosphorus pentoxide; In diethyl ether;

DOI:10.1007/BF00901328

Reference yield:

1.1-Dihydro-perfluor-octyl-isocyanat (376-25-0) → N,N-Bis-<1.1-dihydro-perfluor-octyl>-harnstoff (1543-55-1)

Guidance literature:

With water;

DOI:10.1007/BF00901328

upstream raw materials:

1.1-Dihydro-perfluor-octyl-isocyanat

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-octylamine

perfluorooctanenitrile

pentadecafluorooctanoyl chloride