Bis[4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)phenyl]phenylphosphine

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Product Information

Molecular Formula
C32H17F26P
Molecular Weight
926.41
Description
Bis[4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)phenyl]phenylphosphine (CAS# 322647-83-6 ) is a useful research chemical.
Synonyms
bis[4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]phenyl]-phenylphosphane
IUPAC Name
bis[4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]phenyl]-phenylphosphane
SMILES
C1=CC=C(C=C1)P(C2=CC=C(C=C2)CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F)C3=CC=C(C=C3)CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C32H17F26P/c33-23(34,25(37,38)31(53,54)55)21(27(41,42)43,28(44,45)46)14-16-6-10-19(11-7-16)59(18-4-2-1-3-5-18)20-12-8-17(9-13-20)15-22(29(47,48)49,30(50,51)52)24(35,36)26(39,40)32(56,57)58/h1-13H,14-15H2
InChI Key
JKFFEJFWOMHYDX-UHFFFAOYSA-N
Boiling Point
451.4 °C at 760 mmHg
Flash Point
230.0 °F
Purity
95 %
Appearance
Colorless to yellow liquid
Refractive Index
n20/D 1.459
LogP
12.41760

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
14.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
26
Rotatable Bond Count
11
Exact Mass
926.0652698 g/mol
Monoisotopic Mass
926.0652698 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
59
Formal Charge
0
Complexity
1250
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2020152200-A1 Process for preparation of heteroarylketones 2019-01-25
US-2016223559-A1 Tetrazine-containing compounds and synthetic methods thereof 2015-02-02
US-2002183521-A1 Fluorous phosphines and phosphine oxides 2001-04-05
US-6727390-B2 Fluorous phosphines and phosphine oxides 2001-04-05
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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

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