Tris(1,1,1,2,3,3-hexafluoropropan-2-yl) borate

Base Information

• Chemical Name: Tris(1,1,1,2,3,3-hexafluoropropan-2-yl) borate
• CAS No.: 6919-80-8
• Molecular Formula: C9H3BF18O3
• Molecular Weight: 511.9
• Hs Code.: 2920909090
• DSSTox Substance ID: DTXSID60703080
• Nikkaji Number: J2.716.966J
• Mol file: 6919-80-8.mol

Synonyms:tris(1,1,1,2,3,3-hexafluoropropan-2-yl) borate;BORIC ACID TRIS(HEXAFLUOROISOPROPYL)ESTER;SCHEMBL3776233;DTXSID60703080;WWRGHOUGSXNSIQ-UHFFFAOYSA-N;AKOS015833573;A836385;Tris[1-(trifluoromethyl)-1,2,2-trifluoroethyl] borate;tris[1-(difluoromethyl)-1,2,2,2-tetrafluoro-ethyl] borate

Chemical Property of Tris(1,1,1,2,3,3-hexafluoropropan-2-yl) borate

Chemical Property:

• Melting Point: 31 °C
• Boiling Point: 117-118 °C
• Flash Point: 28.1oC
• PSA: 27.69000
• Density: 1.611±0.06 g/cm3(Predicted)
• LogP: 5.50070
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 9
• Exact Mass: 511.9887810
• Heavy Atom Count: 31
• Complexity: 509

Purity/Quality:

98%,99%, ^*data from raw suppliers

tris(1,1,1,3,3,3-Hexafluoroisopropyl)borate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(OC(C(F)F)(C(F)(F)F)F)(OC(C(F)F)(C(F)(F)F)F)OC(C(F)F)(C(F)(F)F)F

Technology Process of Tris(1,1,1,2,3,3-hexafluoropropan-2-yl) borate

There total 5 articles about Tris(1,1,1,2,3,3-hexafluoropropan-2-yl) borate 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:

1,1,1,3',3',3'-hexafluoro-propanol (920-66-1) → tris(2H-hexafluoroisopropoxy)borane (6919-80-8)

Guidance literature:

With boron trichloride; In dichloromethane;

DOI:10.1007/BF00900164

Reference yield:

BF3*CH3SH + 1,1,1,3',3',3'-hexafluoro-propanol (920-66-1) → tris(2H-hexafluoroisopropoxy)borane (6919-80-8)

Guidance literature:

In neat (no solvent); mixing (-20°C, over 15 min), stirring (room temp., 12 h); pentane addn., fractional distn.;

DOI:10.1149/1.1838719

Reference yield:

Hexafluoroacetone (684-16-2) → tris(2H-hexafluoroisopropoxy)borane (6919-80-8)

Guidance literature:

With sodium tetrahydroborate;

upstream raw materials:

1,1,1,3',3',3'-hexafluoro-propanol

Hexafluoroacetone

Refernces

• 1、 Lee,Yang,Xiang,McBreen,Choi. "The synthesis of a new family of boron-based anion receptors and the study of their effect on ion pair dissociation and conductivity of lithium salts in nonaqueous solutions". . p. 2813 - 2818. Retrieved 2008/10/08.