Potassium Cyclobutyltrifluoroborate - CAS 1065010-88-9

Catalog:	BB001877
Product Name:	Potassium Cyclobutyltrifluoroborate
CAS:	1065010-88-9
Synonyms:	potassium;cyclobutyl(trifluoro)boranuide; potassium;cyclobutyl(trifluoro)boranuide

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Computed Properties

IUPAC Name:	potassium;cyclobutyl(trifluoro)boranuide
Description:	Potassium Cyclobutyltrifluoroborate (CAS# 1065010-88-9) is a useful research chemical.
Molecular Weight:	162.00
Molecular Formula:	C4H7F3BK
Canonical SMILES:	[B-](C1CCC1)(F)(F)F.[K+]
InChI:	InChI=1S/C4H7BF3.K/c6-5(7,8)4-2-1-3-4;/h4H,1-3H2;/q-1;+1
InChI Key:	GZQJPWKFEMYYOO-UHFFFAOYSA-N
Melting Point:	94-100 °C
Flash Point:	Not applicable
Purity:	97 %
LogP:	2.38790

Publication Number	Title	Priority Date
WO-2019189766-A1	Novel biaryl amide derivative	20180330
JP-WO2019189766-A1	New biaryl amide derivative	20180330
AU-2018316620-A1	Macrocyclic MCL-1 inhibitors and methods of use	20170815
AU-2018317828-A1	Macrocyclic MCL-1 inhibitors and methods of use	20170815
AU-2018317836-A1	Macrocyclic MCL-1 inhibitors and methods of use	20170815

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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

Complexity:	88.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.0229964
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	162.0229964
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0