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307492-75-7 molecular structure
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3-ethyl-1,2-dimethyl-1H-imidazol-3-ium; tetrafluoroboranuide

ChemBase ID: 300760
Molecular Formular: C7H13BF4N2
Molecular Mass: 211.9961328
Monoisotopic Mass: 212.11079171
SMILES and InChIs

SMILES:
F[B-](F)(F)F.C(C)[n+]1c(n(cc1)C)C
Canonical SMILES:
F[B-](F)(F)F.CC[n+]1ccn(c1C)C
InChI:
InChI=1S/C7H13N2.BF4/c1-4-9-6-5-8(3)7(9)2;2-1(3,4)5/h5-6H,4H2,1-3H3;/q+1;-1
InChIKey:
KNIWGPCMWBGRBE-UHFFFAOYSA-N

Cite this record

CBID:300760 http://www.chembase.cn/molecule-300760.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-ethyl-1,2-dimethyl-1H-imidazol-3-ium; tetrafluoroboranuide
IUPAC Traditional name
1-ethyl-2,3-dimethylimidazol-1-ium tetrafluoroborate
Synonyms
1-Ethyl-2,3-dimethylimidazolium tetrafluoroborate
1-ethyl-2,3-dimethylimidazolium tetrafluoroborate
CAS Number
307492-75-7
MDL Number
MFCD08458929

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.4739072  LogD (pH = 7.4) -3.4739072 
Log P -3.4739072  Molar Refractivity 48.8077 cm3
Polarizability 14.520109 Å3 Polar Surface Area 8.81 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Moisture Sensitive 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-P501 expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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