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192863-35-7 molecular structure
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potassium trifluoro(4-fluorophenyl)boranuide

ChemBase ID: 100550
Molecular Formular: C6H4BF4K
Molecular Mass: 201.9988728
Monoisotopic Mass: 201.99792509
SMILES and InChIs

SMILES:
Fc1ccc(cc1)[B-](F)(F)F.[K+]
Canonical SMILES:
Fc1ccc(cc1)[B-](F)(F)F.[K+]
InChI:
InChI=1S/C6H4BF4.K/c8-6-3-1-5(2-4-6)7(9,10)11;/h1-4H;/q-1;+1
InChIKey:
PXKNUQDMYBUYSZ-UHFFFAOYSA-N

Cite this record

CBID:100550 http://www.chembase.cn/molecule-100550.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium trifluoro(4-fluorophenyl)boranuide
IUPAC Traditional name
potassium ion trifluoro(4-fluorophenyl)boranuide
potassium trifluoro(4-fluorophenyl)boranuide
Synonyms
Potassium (4-fluorophenyl)trifluoroborate
4-Fluorobenzenetrifluoroboric acid potassium salt
4-Fluorophenyltrifluoroboric acid potassium salt
Potassium 4-fluorophenyltrifluoroborate
4-氟苯基三氟硼酸钾
CAS Number
192863-35-7
EC Number
000-000-0
MDL Number
MFCD01318170
Beilstein Number
7783544
PubChem SID
24881416
162086641
PubChem CID
23677644

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23677644 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2692  LogD (pH = 7.4) 2.2692 
Log P 2.2692  Molar Refractivity 30.1946 cm3
Polarizability 11.779006 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
290-292°C expand Show data source
297 °C (dec.)(lit.) expand Show data source
297(dec.)°C expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P280G-P305+P351+P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
Linear Formula
FC6H4BF3K expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 592846 external link
Packaging
1 g in poly bottle
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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