Tris(1H,1H-heptafluorobutyl)phosphate

Base Information

• Chemical Name: Tris(1H,1H-heptafluorobutyl)phosphate
• CAS No.: 563-09-7
• Molecular Formula: C12H6F21O4P
• Molecular Weight: 644.11
• Hs Code.: 2835299000
• DSSTox Substance ID: DTXSID40380757
• Wikidata: Q81985861
• Mol file: 563-09-7.mol

Synonyms:Tris(1H,1H-heptafluorobutyl)phosphate;563-09-7;tris(2,2,3,3,4,4,4-heptafluorobutyl) phosphate;SCHEMBL15301079;DTXSID40380757;SEKXXYCKRMKLQG-UHFFFAOYSA-N;MFCD00311371;AKOS025310347;TRIS(1H,1H-HEPTAFLUOROBUTYL)PHOSPHATE, 97% MIN.

Chemical Property of Tris(1H,1H-heptafluorobutyl)phosphate

Chemical Property:

• Vapor Pressure: 0.0127mmHg at 25°C
• Refractive Index: 1.304
• Boiling Point: 268.4°C at 760 mmHg
• Flash Point: 116.1°C
• PSA: 54.57000
• Density: 1.674g/cm³
• LogP: 7.64300
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 25
• Rotatable Bond Count: 12
• Exact Mass: 643.9668371
• Heavy Atom Count: 38
• Complexity: 746

Purity/Quality:

98%min ^*data from raw suppliers

Tris(1H,1H-heptafluorobutyl) phosphate 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(C(F)(F)F)(F)F)(F)F)OP(=O)(OCC(C(C(F)(F)F)(F)F)(F)F)OCC(C(C(F)(F)F)(F)F)(F)F

Technology Process of Tris(1H,1H-heptafluorobutyl)phosphate

There total 4 articles about Tris(1H,1H-heptafluorobutyl)phosphate 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: 93.8%

2,2,3,3,4,4,4-heptafluorobutanol (375-01-9) → tris(1,1-dihydroperfluorobutyl) phosphate (563-09-7)

Guidance literature:

With lithium chloride; trichlorophosphate; for 3.6h; bath temperature 160 deg C;

DOI:10.1007/BF00958399

Reference yield: 60.3%

2,2,3,3,4,4,4-heptafluorobutanol (375-01-9) → tris(1,1-dihydroperfluorobutyl) phosphate (563-09-7) + 2,2,3,3,4,4,4-heptafluorobutyl phosphorodichloridate (30787-77-0) + bis(1,1-dihydroperfluorobutyl) chlorophosphate (6780-81-0)

Guidance literature:

With lithium chloride; trichlorophosphate; for 1.5h; bath temperature 150 - 170 deg C;

DOI:10.1007/BF00958399

Reference yield: 55.0%

2,2,3,3,4,4,4-heptafluorobutanol (375-01-9) → tris(1,1-dihydroperfluorobutyl) phosphate (563-09-7) + bis(1,1-dihydroperfluorobutyl) chlorophosphate (6780-81-0)

Guidance literature:

With lithium chloride; trichlorophosphate; at 105 ℃; for 0.5h;

upstream raw materials:

2,2,3,3,4,4,4-heptafluorobutanol