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244193-52-0 molecular structure
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1-methyl-3-octyl-1H-imidazol-3-ium; tetrafluoroboranuide

ChemBase ID: 152497
Molecular Formular: C12H23BF4N2
Molecular Mass: 282.1290328
Monoisotopic Mass: 282.18904203
SMILES and InChIs

SMILES:
[B-](F)(F)(F)F.CCCCCCCC[n+]1ccn(c1)C
Canonical SMILES:
F[B-](F)(F)F.CCCCCCCC[n+]1ccn(c1)C
InChI:
InChI=1S/C12H23N2.BF4/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;2-1(3,4)5/h10-12H,3-9H2,1-2H3;/q+1;-1
InChIKey:
GXZCAMSPWNHTAE-UHFFFAOYSA-N

Cite this record

CBID:152497 http://www.chembase.cn/molecule-152497.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-3-octyl-1H-imidazol-3-ium; tetrafluoroboranuide
IUPAC Traditional name
1-octyl-3-methylimidazolium tetrafluoroborate
Synonyms
OMIMBF4
1-Methyl-3-octylimidazolium tetrafluoroborate
1-甲基-3-辛基咪唑四氟硼酸盐
CAS Number
244193-52-0
MDL Number
MFCD03095434
PubChem SID
162246642
24890287
PubChem CID
11460221

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
96324 external link Add to cart Please log in.
Data Source Data ID
PubChem 11460221 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.36770278  LogD (pH = 7.4) -0.36770278 
Log P -0.36770278  Molar Refractivity 61.1303 cm3
Polarizability 23.823328 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)
Density
1.12 g/mL at 20 °C(lit.) expand Show data source
Viscosity
422 stokes expand Show data source
Conductivity
0.43 mS/cm expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Purity
≥97.0% (HPLC) expand Show data source
electrochemical window
6.0 V expand Show data source
Empirical Formula (Hill Notation)
C12H23BF4N2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 96324 external link
Other Notes
Enzyme catalysis in ionic liquids: lipase-catalyzed kinetic resolution1; phase behaviour2
Packaging
5, 50 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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