Hexakis(1H,1H,7H-perfluoroheptoxy)phosphazine

Base Information

• Chemical Name: Hexakis(1H,1H,7H-perfluoroheptoxy)phosphazine
• CAS No.: 3830-74-8
• Molecular Formula: C42H18F72N3O6P3
• Molecular Weight: 2121.42000
• Hs Code.: 2934999090
• European Community (EC) Number: 809-870-3
• Mol file: 3830-74-8.mol

Synonyms:3830-74-8;HEXAKIS(1H,1H,7H-PERFLUOROHEPTOXY)PHOSPHAZINE;2,2,4,4,6,6-Hexakis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene;SCHEMBL8506035;LKVZJNTYGYODLD-UHFFFAOYSA-N;MFCD00798143;AKOS025311284;Hexakis(1H,1H,7H-perfluoroheptoxy)phosphazene;hexakis(1h,1h,7h-dodecafluoroheptoxy)phosphazene;Hexakis(1H,1H,7H-perfluoroheptoxy)phosphazene 97%;HEXAKIS(1H,1H,7H-DODECAFLUOROHEPTOXY)PHOSPHAZINE

Chemical Property of Hexakis(1H,1H,7H-perfluoroheptoxy)phosphazine

Chemical Property:

• Melting Point: 28-32oC
• PSA: 121.89000
• Density: 1.83g/cm3
• LogP: 24.89460
• XLogP3: 26.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 81
• Rotatable Bond Count: 48
• Exact Mass: 2120.9258740
• Heavy Atom Count: 126
• Complexity: 3280

Purity/Quality:

98%Min ^*data from raw suppliers

2,2,4,4,6,6-Hexakis[(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)oxy]-2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OP1(=NP(=NP(=N1)(OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Uses: 2,2,4,4,6,6-Hexakis[(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)oxy]-2,2,4,4,6,6-hexahydro- 1,3,5,2,4,6-triazatriphosphorine is a component of Ultramark 1621 which is a useful calibration compound for negative and positive ion fast-atom bombardment (FAB) high-resolution mass spectrometry.

Technology Process of Hexakis(1H,1H,7H-perfluoroheptoxy)phosphazine

There total 3 articles about Hexakis(1H,1H,7H-perfluoroheptoxy)phosphazine 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:

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-heptanol (335-99-9) → Trimeres Bis-<2,2,3,3,4,4,5,5,6,6,7,7-dodecafluor-heptyl>-phosphornitrilat (3830-74-8)

Guidance literature:

With 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine; sodium; In tetrahydrofuran;

Reference yield:

→ Trimeres Bis-<2,2,3,3,4,4,5,5,6,6,7,7-dodecafluor-heptyl>-phosphornitrilat (3830-74-8)

Guidance literature:

With toluene;

Reference yield:

→ Trimeres Bis-<2,2,3,3,4,4,5,5,6,6,7,7-dodecafluor-heptyl>-phosphornitrilat (3830-74-8)

Guidance literature:

2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluor-natrium-heptylat, cycl. trim.-Phosphornitril-chlorid;

DOI:10.1021/ja00863a011

upstream raw materials:

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-heptanol