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153433-26-2 molecular structure
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2-chloro-1,3-dimethyl-1H-imidazol-3-ium; tetrafluoroboranuide

ChemBase ID: 298632
Molecular Formular: C5H8BClF4N2
Molecular Mass: 218.3880328
Monoisotopic Mass: 218.04051923
SMILES and InChIs

SMILES:
F[B-](F)(F)F.Clc1[n+](ccn1C)C
Canonical SMILES:
F[B-](F)(F)F.Cn1cc[n+](c1Cl)C
InChI:
InChI=1S/C5H8ClN2.BF4/c1-7-3-4-8(2)5(7)6;2-1(3,4)5/h3-4H,1-2H3;/q+1;-1
InChIKey:
CGOQUHFRTZEQIX-UHFFFAOYSA-N

Cite this record

CBID:298632 http://www.chembase.cn/molecule-298632.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-1,3-dimethyl-1H-imidazol-3-ium; tetrafluoroboranuide
IUPAC Traditional name
2-chloro-1,3-dimethylimidazol-1-ium tetrafluoroborate
Synonyms
CIB
2-Chloro-1,3-dimethylimidazolium tetrafluoroborate
2-氯-1,3-二甲基咪唑四氟硼酸盐
CAS Number
153433-26-2
MDL Number
MFCD09039291
PubChem SID
180684163
PubChem CID
22175717

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
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Data Source Data ID
PubChem 22175717 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.387173  H Acceptors
H Donor LogD (pH = 5.5) -3.0397656 
LogD (pH = 7.4) -3.0397656  Log P -3.0397656 
Molar Refractivity 44.771 cm3 Polarizability 12.955489 Å3
Polar Surface Area 8.81 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
175-177°C expand Show data source
Storage Warning
Moisture & Light 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 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
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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