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Merck
CN

703087

Hydrogen [4-di-tert-butylphosphino-2,3,5,6-tetrafluorophenyl]hydrobis(2,3,4,5,6-pentafluorophenyl)borate

97%

Synonym(s):

Frustrated phosphonium borate 1

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About This Item

Linear Formula:
H+ [(((CH3)3C)2PC6F4)B(H)(C6F5)2]-
CAS Number:
952208-49-0
Molecular Weight:
640.20
PubChem Substance ID:
329762428
UNSPSC Code:
12352300

Key Documents

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InChI

1S/C26H19BF14P/c1-25(2,3)42(26(4,5)6)24-22(40)14(32)9(15(33)23(24)41)27(7-10(28)16(34)20(38)17(35)11(7)29)8-12(30)18(36)21(39)19(37)13(8)31/h27H,1-6H3/q-1/p+1

InChI key

KGYHXLYRDXKNBO-UHFFFAOYSA-O

SMILES string

[H+].CC(C)(C)P(c1c(F)c(F)c([BH-](c2c(F)c(F)c(F)c(F)c2F)c3c(F)c(F)c(F)c(F)c3F)c(F)c1F)C(C)(C)C

assay

97%

reaction suitability

reagent type: catalyst
core: boron

mp

222-227 °C

storage temp.

2-8°C

General description

Frustrated phosphonium borate for metal-free catalytic hydrogenation of imines. Activates dihydrogen under mild conditions.

Application

Catalyst for metal-free catalytic hydrogenation

Reactant for formation of:
  • Frustrated Lewis reactants
  • Phosphine-boranes and cationic phosphonium-boranes

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBB7960

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Metal-free catalytic hydrogenation.
Preston A Chase et al.
Angewandte Chemie (International ed. in English), 46(42), 8050-8053 (2007-08-19)
Gregory C Welch et al.
Science (New York, N.Y.), 314(5802), 1124-1126 (2006-11-18)
Although reversible covalent activation of molecular hydrogen (H2) is a common reaction at transition metal centers, it has proven elusive in compounds of the lighter elements. We report that the compound (C6H2Me3)2PH(C6F4)BH(C6F5)2 (Me, methyl), which we derived through an unusual

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