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164298-27-5 molecular structure
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2-fluoro-1,3-dimethyl-1H-imidazol-3-ium; hexafluoro-λ5-phosphanuide

ChemBase ID: 298855
Molecular Formular: C5H8F7N2P
Molecular Mass: 260.0930034
Monoisotopic Mass: 260.03133244
SMILES and InChIs

SMILES:
F[P-](F)(F)(F)(F)F.Fc1[n+](ccn1C)C
Canonical SMILES:
F[P-](F)(F)(F)(F)F.Cn1cc[n+](c1F)C
InChI:
InChI=1S/C5H8FN2.F6P/c1-7-3-4-8(2)5(7)6;1-7(2,3,4,5)6/h3-4H,1-2H3;/q+1;-1
InChIKey:
YLYBIQHXPVLRIL-UHFFFAOYSA-N

Cite this record

CBID:298855 http://www.chembase.cn/molecule-298855.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-1,3-dimethyl-1H-imidazol-3-ium; hexafluoro-λ5-phosphanuide
IUPAC Traditional name
2-fluoro-1,3-dimethylimidazol-1-ium hexafluorophosphate
Synonyms
1,3-Dimethyl-2-fluoroimidazolidinium hexafluorophosphate
DFIH
2-Fluoro-1,3-dimethylimidazolium hexafluorophosphate
2-氟-1,3-二甲基咪唑啉六氟磷酸盐
CAS Number
164298-27-5
MDL Number
MFCD01863767
PubChem SID
180684386
PubChem CID
18622446

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 18622446 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.372963  H Acceptors
H Donor LogD (pH = 5.5) -3.327355 
LogD (pH = 7.4) -3.327355  Log P -3.327355 
Molar Refractivity 40.136 cm3 Polarizability 10.6437645 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
162-167°C expand Show data source
Storage Warning
Moisture Sensitive & Hygroscopic 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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