Potassium 2-methyl-1-propenyltrifluoroborate
Product Information
Molecular Formula
C4H7BF3K
Molecular Weight
162.00
Description
Potassium 2-methyl-1-propenyltrifluoroborate is a highly esteemed compound within the biomedical industry and holds utmost significance owing to its pivotal involvement as a reactive reagent during pharmaceutical drug synthesis. It ardently contributes to the advancement of therapeutic interventions against a myriad of afflictions encompassing cancer, inflammation, and neurological disorders. Its chemical characteristics render it an irreplaceable constituent woven into the intricate fabric of drug discovery and developmental endeavors.
Synonyms
Potassiumtrifluoro(2-methylallyl)borate; Potassium trifluoro(2-methylallyl)borate; EN300-216133; potassium trifluoro(2-methylprop-2-en-1-yl)boranuide
IUPAC Name
potassiumtrifluoro(2-methylprop-2-enyl)boranuide
SMILES
[B-](CC(=C)C)(F)(F)F.[K+]
InChI
InChI=1S/C4H7BF3.K/c1-4(2)3-5(6,7)8/h1,3H2,2H3/q-1+1
InChI Key
RXHFYLZSQLCQPA-UHFFFAOYSA-N
Melting Point
130-134 °C
Flash Point
Not applicable
Purity
95%
Storage
2-8°C
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
162.0229964 g/mol
Monoisotopic Mass
162.0229964 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
98.5
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
