1-Ethyl-3-methylimidazolium chloride

HCID 2734160CAS 65039-09-0

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CCn1cc[n+](C)c1.[Cl-]
InChIKey: BMQZYMYBQZGEEY-UHFFFAOYSA-M
Summenformel: C6H11ClN2
Durchschnittliche Molmasse: 146,62 g/mol
Monoisotopische Masse: 146,06107603

Überblick

1-ethyl-3-methylimidazolium chloride is an organic chloride salt in which the cationic component is 1-ethyl-3-methylimidazolium. It is an organic chloride salt and an ionic liquid. It contains a 1-ethyl-3-methylimidazolium.

Namen und Bezeichner

Bevorzugter Name: 1-Ethyl-3-methylimidazolium chloride
IUPAC: 1-ethyl-3-methylimidazol-3-ium chloride
Englischer Name: 1-Ethyl-3-methylimidazolium chloride
Summenformel: C6H11ClN2
Molmasse: 146.62

Namen und Synonyme

1-Ethyl-3-methylimidazolium chloride65039-09-0DTXSID1041180PH90AQ1E931H-Imidazolium, 3-ethyl-1-methyl-, chloride (1:1)1-Methyl-3-ethylimidazolium chlorideDTXCID9021180CHEBI:61327RefChem:75743613-739-41-ethyl-3-methyl-1H-imidazol-3-ium chloride[EMIM]Cl

Weitere Namen anzeigen

EMIM CLEMIC1-Ethyl-3-methylimidazole chlorideSKL1487SKL1551SKL1554SKL1344Basionics? ST 80BASIONIC(TM) ST 80

3-Ethyl-1-methyl-1H-imidazol-3-ium chlorideMFCD000748431-ethyl-3-methylimidazol-3-ium;chlorideEMIMClN-Methyl-N'-ethylimidazolium chloride1-Ethyl-3-methylimidazolium chloride (for molten salt)1-Ethyl-3-methylimidazolium Chloride [for Molten Salt]Emim-Cl

Datenbank-Bezeichner

CAS: 65039-09-0
PubChem CID: 2734160
DTXSID: DTXSID1041180
ChEMBL: CHEMBL3184109
ChEBI: CHEBI:61327
UNII: PH90AQ1E93
EC Number: 613-739-4

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 8,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 72,9

Physikochemische Eigenschaften

Schmelzpunkt: 77 · 77-79 °C(lit.)
Dichte: 1.435 g/cm3 · 1.435 g/cm3
Dampfdruck: 0 Pa · 0Pa at 20-50℃
Flammpunkt: 186 °C · 186 °C
storage temp.: 30 °C · Store below +30°C.
Aggregatzustand: Agglomerating Crystalline Powder
Farbe: Pale yellow
Wasserlöslichkeit: Soluble in water.
BRN: 5163190 · 5163190
Stabilität: Stable. Very hygroscopic. Incompatible with strong oxidizing agents.
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
SMILES: [Cl-].CCn1cc[n+](C)c1
LogP: -2.6 at · -2.6 at 23℃ and pH6.6
CAS Datenbank: 65039 · 65039-09-0(CAS DataBase Reference)
EPA chemische Informationen: 1 H-Imidazolium, · 1H-Imidazolium, 3-ethyl-1-methyl-, chloride (1:1) (65039-09-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (70.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 155 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 13-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/16488

Hazard Classes and CategoriesAcute Tox. 4 (70.3%)

Sicherheitsdaten

F: 3-10
wgk: 2
tsca: TSCA listed
ridadr: 2811
hs_code: 2933 29 90
risk_code: 36/38-51/53-36/37/38-25
hazard_code: Xi,N,T
safety_code: 26-57-45-37/39-29
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1H-Imidazolium, 3-ethyl-1-methyl-, chloride (1:1): ACTIVE

Anwendungen · 1 Eintrag

Verwenden1-Ethyl-3-methylimidazolium chloride is an imidazolium chloride ionic liquid that can be used as:A starting material for the preparation of 1-ethyl-3-methylimidazolium chloride/tetrafluoroborate (EMI.Cl.BF4) molten salt for electrochemical studies.A solvent as well as catalyst for the depolymerization of oak wood lignin.A solvent in the hydrolysis of hemicellulose (xylan) to xylose using Brnsted acid catalysts.