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13682-77-4 molecular structure
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potassium ethenyltrifluoroboranuide

ChemBase ID: 96817
Molecular Formular: C2H3BF3K
Molecular Mass: 133.9497296
Monoisotopic Mass: 133.99169684
SMILES and InChIs

SMILES:
[B-](F)(F)(F)C=C.[K+]
Canonical SMILES:
F[B-](C=C)(F)F.[K+]
InChI:
InChI=1S/C2H3BF3.K/c1-2-3(4,5)6;/h2H,1H2;/q-1;+1
InChIKey:
ZCUMGICZWDOJEM-UHFFFAOYSA-N

Cite this record

CBID:96817 http://www.chembase.cn/molecule-96817.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium ethenyltrifluoroboranuide
IUPAC Traditional name
potassium ion ethenyltrifluoroboranuide
potassium ethenyltrifluoroboranuide
Synonyms
potassium ethenyltrifluoroboranuide
Potassium ethenyltrifluoroborate
Potassium vinyltrifluoroborate
Potassium (ethenyl)trifluoroborate
Potassium vinyltrifluoroborate
Vinyltrifluoroboric acid potassium salt
Potassium trifluoro(vinyl)borate
乙烯三氟硼酸钾
CAS Number
13682-77-4
EC Number
000-000-0
MDL Number
MFCD02093335
Beilstein Number
7777570
PubChem SID
24884089
162083463
PubChem CID
23679353

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0586  LogD (pH = 7.4) 1.0586 
Log P 1.0586  Molar Refractivity 13.9862 cm3
Polarizability 5.988023 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
223 - 225°C expand Show data source
230(dec.)°C expand Show data source
230°C dec. expand Show data source
Hydrophobicity(logP)
0.0050 expand Show data source
Storage Warning
Corrosive expand Show data source
Hygroscopic expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
3261 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
34 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3261 8/PG 2 expand Show data source
Purity
95% expand Show data source
97% expand Show data source
Linear Formula
CH2=CHBF3K expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 655228 external link
Packaging
1, 5, 25, 100 g in poly bottle
Application
Organotrifluoroborate involved in:
• Suzuki Miyaura cross-coupling reactions1,2 and polymerization reactions3
• Synthesis of photonic crystals4
• Synthesis of sensitizers for dye-sensitized solar cells5
• Mannich / diastereoselective hydroamination reaction sequence6Organotrifluoroborates as versatile and stable boronic acid surrogates.
Protocols & Applications
Suzuki Cross-Coupling using Organotrifluoroborates as Potent Boronic Acid Surrogates

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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