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412009-61-1 molecular structure
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1-ethyl-3-methyl-1H-imidazol-3-ium hydrogen sulfate

ChemBase ID: 142081
Molecular Formular: C6H12N2O4S
Molecular Mass: 208.23548
Monoisotopic Mass: 208.05177787
SMILES and InChIs

SMILES:
CCn1cc[n+](c1)C.OS(=O)(=O)[O-]
Canonical SMILES:
[O-]S(=O)(=O)O.CCn1cc[n+](c1)C
InChI:
InChI=1S/C6H11N2.H2O4S/c1-3-8-5-4-7(2)6-8;1-5(2,3)4/h4-6H,3H2,1-2H3;(H2,1,2,3,4)/q+1;/p-1
InChIKey:
HZKDSQCZNUUQIF-UHFFFAOYSA-M

Cite this record

CBID:142081 http://www.chembase.cn/molecule-142081.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 hydrogen sulfate
IUPAC Traditional name
1-ethyl-3-methylimidazolium hydrogensulfate
Synonyms
Basionics® AC 25
1-Ethyl-3-methylimidazolium hydrogen sulfate
1-乙基-3-甲基咪唑硫酸氢盐
CAS Number
412009-61-1
MDL Number
MFCD06798195
PubChem SID
162236312
24880204
PubChem CID
16217215

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
56486 external link Add to cart Please log in.
Data Source Data ID
PubChem 16217215 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

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3265 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3265 8/PG 2 expand Show data source
Purity
95% expand Show data source
Grade
BASF quality expand Show data source
Empirical Formula (Hill Notation)
C6H12N2O4S expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 56486 external link
General description
produced by Sigma-Aldrich, production and use of trademark licensed from BASF
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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