Potassium (Z)-1-propenyltrifluoroborate
Product Information
Molecular Formula
C3H5BF3K
Molecular Weight
147.98
Synonyms
Borate(1-), trifluoro-(1Z)-1-propen-1-yl-, potassium (1:1), (T-4)-; Potassium (Z)-trifluoro(1-propenyl)borate; Potassium cis-1-propenyltrifluoroborate
IUPAC Name
potassium;(Z)-trifluoro(prop-1-en-1-yl)borate
SMILES
[K+].[F-][B+3]([F-])([F-])[CH-]=CC
InChI
InChI=1S/C3H5BF3.K/c1-2-3-4(5,6)7;/h2-3H,1H3;/q-1;+1
InChI Key
RLDWVFWDURMTAV-UHFFFAOYSA-N
Melting Point
>260°C
Flash Point
Not applicable
Purity
95%
Related CAS
1902198-17-7 (free acid) 1902198-18-8 (E-isomer)
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
0
Exact Mass
148.0073463 g/mol
Monoisotopic Mass
148.0073463 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
77.1
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes