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910251-11-5 molecular structure
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potassium trifluoro(methoxymethyl)boranuide

ChemBase ID: 98011
Molecular Formular: C2H5BF3KO
Molecular Mass: 151.9650096
Monoisotopic Mass: 152.00226152
SMILES and InChIs

SMILES:
O(C)C[B-](F)(F)F.[K+]
Canonical SMILES:
F[B-](COC)(F)F.[K+]
InChI:
InChI=1S/C2H5BF3O.K/c1-7-2-3(4,5)6;/h2H2,1H3;/q-1;+1
InChIKey:
WNVXSBCLLHGATG-UHFFFAOYSA-N

Cite this record

CBID:98011 http://www.chembase.cn/molecule-98011.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium trifluoro(methoxymethyl)boranuide
IUPAC Traditional name
potassium ion trifluoro(methoxymethyl)boranuide
potassium trifluoro(methoxymethyl)boranuide
Synonyms
Potassium (methoxymethyl)trifluoroborate
Potassium methoxymethyltrifluoroborate
甲氧基-甲基三氟硼酸钾
CAS Number
910251-11-5
MDL Number
MFCD10566517
PubChem SID
162084484
PubChem CID
45588148

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 45588148 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.6871  LogD (pH = 7.4) 0.6871 
Log P 0.6871  Molar Refractivity 16.2404 cm3
Polarizability 7.0697584 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
200°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 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
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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