Perfluorooctanamidine

Base Information

• Chemical Name: Perfluorooctanamidine
• CAS No.: 307-31-3
• Molecular Formula: C8H3 F15 N2
• Molecular Weight: 412.1
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID70381151
• Wikidata: Q81985876
• Mol file: 307-31-3.mol

Synonyms:Perfluorooctanamidine;307-31-3;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanimidamide;C8H3F15N2;SCHEMBL1009016;DTXSID70381151;VHJKOLAKAFYZMC-UHFFFAOYSA-N;MFCD00069165;AKOS015852403;CS-0450830;FT-0676895;A820587;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecakis(fluoranyl)octanimidamide

Chemical Property of Perfluorooctanamidine

Chemical Property:

• Vapor Pressure: 3.76mmHg at 25°C
• Refractive Index: 1.306
• Boiling Point: 150.9°Cat760mmHg
• PKA: 6.33±0.40(Predicted)
• Flash Point: 45°C
• PSA: 49.87000
• Density: 1.74g/cm³
• LogP: 5.09650
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 6
• Exact Mass: 412.0056705
• Heavy Atom Count: 25
• Complexity: 530

Purity/Quality:

98%Min ^*data from raw suppliers

Perfluorooctanamidine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Perfluorooctanamidine

There total 1 articles about Perfluorooctanamidine 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: 99.0%

perfluorooctanenitrile (647-12-1) → perfluorooctanoylamidine (307-31-3)

Guidance literature:

With ammonia; at -55 ℃; for 0.5h;

Reference yield: 79.0%

perfluorooctanoylamidine (307-31-3) + imido-diphenyldiphosphinic acid pentachloride → 1,3-bis(phenylchlorophospha)-5-perfluoro-n-heptyl-2,4,6-triazine (95069-16-2)

Guidance literature:

With triethylamine; In 1,1,2-Trichloro-1,2,2-trifluoroethane; for 71h; Ambient temperature;

DOI:10.1016/S0022-1139(00)81129-X

Reference yield:

perfluorooctanoylamidine (307-31-3) → 1,3-bis(phenylperfluoro-n-octanoylamidinophospha)-5-perfluoro-n-heptyl-2,4,6-triazine

Guidance literature:

Multi-step reaction with 2 steps

1: 79 percent / Et₃N / various solvent(s); 1,1,2-trichloro-1,2,2-trifluoro-ethane / 71 h / Ambient temperature

2: 72 percent / Et₃N / 1,1,2-trichloro-1,2,2-trifluoro-ethane / 0 deg C, 1 h, then room t., 16 h

With triethylamine; In 1,1,2-Trichloro-1,2,2-trifluoroethane;

DOI:10.1016/S0022-1139(00)81129-X

upstream raw materials:

perfluorooctanenitrile

Downstream raw materials:

1,3-bis(phenylchlorophospha)-5-perfluoro-n-heptyl-2,4,6-triazine

1,3-bis(azidophenylphospha)-5-perfluoro-n-heptyl-2,4,6-triazine

Refernces