3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazoliumbromid

3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide

HCID 9964923

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Grundinformationen

CAS: 54016-70-5
Standard-SMILES: CC[n+]1csc(CCO)c1C.[Br-]
InChIKey: BDQRQMLWZJQQKS-UHFFFAOYSA-M
Summenformel: C8H14BrNOS
Durchschnittliche Molmasse: 252,17 g/mol
Monoisotopische Masse: 250,99794717

Namen und Bezeichner

Bevorzugter Name: 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide
IUPAC: 2-(3-ethyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol bromide
Lokaler Name: 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazoliumbromid
Englischer Name: 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide
Summenformel: C8H14BrNOS
Molmasse: 252.17

Namen und Synonyme

54016-70-53-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromideEINECS 258-925-2RefChem:93840258-925-23-Ethyl-5-(2-hydroxyethyl)-4-methylthiazol-3-ium bromide3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazoliumbromideC8H14BrNOSMFCD00040549AC-1642-(3-ethyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol;bromide3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium bromide

Weitere Namen anzeigen

Atorvastatin Intermediate3-ethyl-5-(2-hydroxyethyl)-4-Methyl-1,3-thiazoliuM broMide3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazole bromide3-ethyl-5-(2-hydroxyethyl)3-ETHYL-5-(2-HYDROXYETHYL)-4-METHYLTHIAZ3-Ethyl-5-(2-hydroxyethyl)-4-methylthi...3-ETHYL-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM BROM2-(3-ethyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol

3ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide2-(3-ethyl-4-methyl-thiazol-3-ium-5-yl)ethanol bromideThiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl-, bromideAtorvastatin Impurity 3FT-0615656SCHEMBL447562DTXSID10968844AKOS015833048

Datenbank-Bezeichner

CAS: 54016-70-5
PubChem CID: 9964923
DTXSID: DTXSID10968844
EC Number: 258-925-2

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 52,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 121

Physikochemische Eigenschaften

Schmelzpunkt: 82 · 82-87 °C (lit.)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
Aggregatzustand: Crystalline Powder
Farbe: White
Wasserlöslichkeit: very faint turbidity
BRN: 4165775 · 4165775
InChI: InChI=1S/C8H14NOS.BrH/c1-3-9-6-11-8(4-5-10)7(9)2;/h6,10H,3-5H2,1-2H3;1H/q+1;/p-1
InChIKey: BDQRQMLWZJQQKS-UHFFFAOYSA-M
SMILES: S1C(CCO)=C(C)[N+](CC)=C1.[Br-]
CAS Datenbank: 54016 · 54016-70-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationThiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl-, bromide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)