Potassium Trifluoro[4-(trifluoromethyl)phenyl]borate

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Product Information

Molecular Formula:
C7H4F6BK
Molecular Weight:
252.01
Description
Potassium Trifluoro[4-(trifluoromethyl)phenyl]borate (CAS# 166328-08-1) is a useful research chemical.
Synonyms
potassium;trifluoro-[4-(trifluoromethyl)phenyl]boranuide; potassium;trifluoro-[4-(trifluoromethyl)phenyl]boranuide
IUPAC Name
potassium;trifluoro-[4-(trifluoromethyl)phenyl]boranuide
Canonical SMILES
[B-](C1=CC=C(C=C1)C(F)(F)F)(F)(F)F.[K+]
InChI
InChI=1S/C7H4BF6.K/c9-7(10,11)5-1-3-6(4-2-5)8(12,13)14;/h1-4H;/q-1;+1
InChI Key
KVDSXGFQLXKOID-UHFFFAOYSA-N
Melting Point
>300 °C (lit.)
Purity
96 %
Appearance
White to off-white powder
LogP
2.75980

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

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
0
Exact Mass
251.9947308 g/mol
Monoisotopic Mass
251.9947308 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
193
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
2
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
AU-2015233654-A1 Heteroaryl Syk inhibitors 2014-03-19
AU-2015233654-B2 Heteroaryl Syk inhibitors 2014-03-19
CA-2942997-A1 Heteroaryl syk inhibitors 2014-03-19
CN-110713489-A Heteroaryl SYK inhibitors 2014-03-19
EA-032097-B1 SYK HETEROARIAL INHIBITORS 2014-03-19
EP-3119765-A1 Heteroaryl syk inhibitors 2014-03-19
EP-3119765-B1 Heteroaryl syk inhibitors 2014-03-19
EP-3119772-A1 Heteroaryl sik inhibitors 2014-03-19
EP-3119772-B1 Heteroaryl sik inhibitors 2014-03-19
JP-2017511805-A Heteroaryl SYK inhibitor 2014-03-19
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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