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668984-08-5 molecular structure
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potassium trifluoro(naphthalen-2-yl)boranuide

ChemBase ID: 94539
Molecular Formular: C10H7BF3K
Molecular Mass: 234.0670896
Monoisotopic Mass: 234.02299696
SMILES and InChIs

SMILES:
[K+].[B-](c1ccc2c(c1)cccc2)(F)(F)F
Canonical SMILES:
F[B-](c1ccc2c(c1)cccc2)(F)F.[K+]
InChI:
InChI=1S/C10H7BF3.K/c12-11(13,14)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H;/q-1;+1
InChIKey:
FXRJHJJHIOIXKE-UHFFFAOYSA-N

Cite this record

CBID:94539 http://www.chembase.cn/molecule-94539.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium trifluoro(naphthalen-2-yl)boranuide
IUPAC Traditional name
potassium trifluoro(naphthalen-2-yl)boranuide
potassium ion trifluoro(naphthalen-2-yl)boranuide
Synonyms
Potassium trifluoro(2-naphthyl)borate
Potassium trifluoro(naphthalen-2-yl)borate
Potassium 2-naphthalenetrifluoroborate
Potassium (2-naphthalene)trifluoroborate 96%
2-萘三氟硼酸钾
CAS Number
668984-08-5
MDL Number
MFCD06659941
PubChem SID
24884255
162081193
PubChem CID
23674705

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23674705 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1319  LogD (pH = 7.4) 3.1319 
Log P 3.1319  Molar Refractivity 46.4284 cm3
Polarizability 19.210627 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
>300 °C(lit.) expand Show data source
>300°C expand Show data source
>300°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
26-37-60 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
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
96% expand Show data source
Empirical Formula (Hill Notation)
C10H7BF3K expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 657018 external link
Packaging
1, 5 g in poly bottle
Application
Reactant for:
• Iron-promoted hydrolysis1
• Preparation of diaryl selenides using electrophilic selenium species in ionic liquids2
• Preparation of arylbenzeneacetic acids via palladium-catalyzed cross-coupling reaction with benzeneacetic acids in presence of amino acid ligands3
• Rh-catalyzed addition to N-tosyl or N-nosyl ketimine intermediates4
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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