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850623-60-8 molecular structure
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potassium (4-ethoxyphenyl)trifluoroboranuide

ChemBase ID: 93988
Molecular Formular: C8H9BF3KO
Molecular Mass: 228.0609696
Monoisotopic Mass: 228.03356165
SMILES and InChIs

SMILES:
[B-](c1ccc(cc1)OCC)(F)(F)F.[K+]
Canonical SMILES:
F[B-](c1ccc(cc1)OCC)(F)F.[K+]
InChI:
InChI=1S/C8H9BF3O.K/c1-2-13-8-5-3-7(4-6-8)9(10,11)12;/h3-6H,2H2,1H3;/q-1;+1
InChIKey:
VFMVIDDFXDLACU-UHFFFAOYSA-N

Cite this record

CBID:93988 http://www.chembase.cn/molecule-93988.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium (4-ethoxyphenyl)trifluoroboranuide
IUPAC Traditional name
potassium ion (4-ethoxyphenyl)trifluoroboranuide
potassium (4-ethoxyphenyl)trifluoroboranuide
Synonyms
Potassium (4-ethoxyphenyl)trifluoroborate
Potassium 4-ethoxyphenyltrifluoroborate
4-乙氧基苯基三氟硼酸钾
CAS Number
850623-60-8
MDL Number
MFCD04115753
PubChem SID
162080643
PubChem CID
23716862

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23716862 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2195  LogD (pH = 7.4) 2.2195 
Log P 2.2195  Molar Refractivity 41.19 cm3
Polarizability 16.251867 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
298-304°C expand Show data source
298-304°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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