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267006-26-8 molecular structure
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potassium (3,5-difluorophenyl)trifluoroboranuide

ChemBase ID: 94385
Molecular Formular: C6H3BF5K
Molecular Mass: 219.989336
Monoisotopic Mass: 219.98850328
SMILES and InChIs

SMILES:
[K+].[B-](c1cc(cc(c1)F)F)(F)(F)F
Canonical SMILES:
Fc1cc(cc(c1)F)[B-](F)(F)F.[K+]
InChI:
InChI=1S/C6H3BF5.K/c8-5-1-4(7(10,11)12)2-6(9)3-5;/h1-3H;/q-1;+1
InChIKey:
JFSPHPHYZHGKPO-UHFFFAOYSA-N

Cite this record

CBID:94385 http://www.chembase.cn/molecule-94385.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium (3,5-difluorophenyl)trifluoroboranuide
IUPAC Traditional name
potassium (3,5-difluorophenyl)trifluoroboranuide
potassium ion (3,5-difluorophenyl)trifluoroboranuide
Synonyms
Potassium 3,5-difluorophenyltrifluoroborate
Potassium (3,5-difluorophenyl)trifluoroborate 96%
3,5-二氟苯基三氟硼酸钾
CAS Number
267006-26-8
MDL Number
MFCD06659939
PubChem SID
162081039
PubChem CID
23681893

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23681893 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4087  LogD (pH = 7.4) 2.4087 
Log P 2.4087  Molar Refractivity 30.411 cm3
Polarizability 11.7385435 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
273-278°C expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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