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342573-75-5 molecular structure
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1-ethyl-3-methyl-1H-imidazol-3-ium ethyl sulfate

ChemBase ID: 142077
Molecular Formular: C8H16N2O4S
Molecular Mass: 236.28864
Monoisotopic Mass: 236.083078
SMILES and InChIs

SMILES:
CCn1cc[n+](c1)C.CCOS(=O)(=O)[O-]
Canonical SMILES:
CCn1cc[n+](c1)C.CCOS(=O)(=O)[O-]
InChI:
InChI=1S/C6H11N2.C2H6O4S/c1-3-8-5-4-7(2)6-8;1-2-6-7(3,4)5/h4-6H,3H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
InChIKey:
VRFOKYHDLYBVAL-UHFFFAOYSA-M

Cite this record

CBID:142077 http://www.chembase.cn/molecule-142077.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-ethyl-3-methyl-1H-imidazol-3-ium ethyl sulfate
IUPAC Traditional name
1-ethyl-3-methylimidazolium ethyl sulfate
Synonyms
Basionics® LQ 01
1-Ethyl-3-methylimidazolium ethyl sulfate
ECOENG 212
1-乙基-3-甲基咪唑硫酸乙酯
CAS Number
342573-75-5
MDL Number
MFCD06798189
PubChem SID
24873900
162236308
24846117
PubChem CID
12095229

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12095229 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.1130686  LogD (pH = 7.4) -3.1130686 
Log P -3.1130686  Molar Refractivity 33.6013 cm3
Polarizability 12.75589 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
<-30°C expand Show data source
Flash Point
154 °C expand Show data source
162°C(324°F) expand Show data source
309.2 °F expand Show data source
Density
1.24 expand Show data source
Refractive Index
n20/D 1.481 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
1 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
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥95% expand Show data source
≥98.5% (T) expand Show data source
99% expand Show data source
Grade
for catalysis expand Show data source
produced by BASF expand Show data source
Impurities
≤200 ppm water expand Show data source
Empirical Formula (Hill Notation)
C8H16N2O4S expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 51682 external link
Other Notes
prices for bulk quantities on request
Packaging
1 kg in glass bottle
100 g in glass bottle
Application
Basionic Ionic Liquids
Legal Information
Basionics is a registered trademark of BASF SE

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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