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65039-09-0 molecular structure
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1-ethyl-3-methyl-1H-imidazol-3-ium chloride

ChemBase ID: 125157
Molecular Formular: C6H11ClN2
Molecular Mass: 146.61794
Monoisotopic Mass: 146.06107604
SMILES and InChIs

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

Cite this record

CBID:125157 http://www.chembase.cn/molecule-125157.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 chloride
IUPAC Traditional name
1-ethyl-3-methylimidazolium chloride
Synonyms
[EMIM]Cl
1-Ethyl-3-methylimidazolium chloride
EMIMCl
Basionics® ST 80
1-Ethyl-3-methylimidazolium chloride
1-乙基-3-甲基咪唑氯
氯化 1-乙基-3-甲基咪唑鎓
CAS Number
65039-09-0
MDL Number
MFCD00074843
Beilstein Number
5163190
PubChem SID
24877788
24886272
24856479
24858613
162219507
PubChem CID
2734160
CHEBI ID
61327
Chemspider ID
2015916
Wikipedia Title
1-Ethyl-3-methylimidazolium_chloride

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
77-79 °C expand Show data source
77-79 °C(lit.) expand Show data source
77-80°C expand Show data source
Flash Point
186 °C expand Show data source
186°C(367°F) expand Show data source
366.8 °F expand Show data source
Storage Warning
Hygroscopic 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
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
36/38 expand Show data source
Safety Statements
26 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
H315-H319-H413 expand Show data source
GHS Precautionary statements
P280-P305+P351+P338-P302+P352-P321-P362-P332+P313 expand Show data source
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥95% expand Show data source
≥98.0% (T) expand Show data source
≥98.5% (AT) expand Show data source
98% expand Show data source
98+% expand Show data source
Grade
produced by BASF expand Show data source
purum expand Show data source
Impurities
≤300 ppm water expand Show data source
Empirical Formula (Hill Notation)
C6H11ClN2 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 272841 external link
Packaging
5, 25 g in glass bottle
Sigma Aldrich - 53096 external link
Packaging
5, 25 g in glass bottle
Sigma Aldrich - 30764 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
Sigma Aldrich - 72924 external link
Other Notes
Ionic liquid for clean technology: an update1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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