5-Thiazolecarboxylic acid, 4-methyl-, ethyl ester

HCID 298610

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Grundinformationen

CAS: 20582-55-2
Standard-SMILES: CCOC(=O)c1scnc1C
InChIKey: WISQBJLUORKXNY-UHFFFAOYSA-N
Summenformel: C7H9NO2S
Durchschnittliche Molmasse: 171,22 g/mol
Monoisotopische Masse: 171,03539953

Namen und Bezeichner

Bevorzugter Name: 5-Thiazolecarboxylic acid, 4-methyl-, ethyl ester
IUPAC: ethyl 4-methyl-1,3-thiazole-5-carboxylate
Englischer Name: Ethyl 4-methyl-5-thiazoleactate
Summenformel: C7H9NO2S
Molmasse: 171.22

Namen und Synonyme

20582-55-25-Thiazolecarboxylic acid, 4-methyl-, ethyl esterRefChem:1073356Ethyl 4-methylthiazole-5-carboxylateEthyl 4-methyl-1,3-thiazole-5-carboxylateMFCD006268734-Methylthiazole-5-carboxylic acid ethyl esterEthyl4-methyl-5-thiazoleactateNSC1708244-methyl-5-thiazolecarboxylic acid ethylesterSCHEMBL31575SCHEMBL971952

Weitere Namen anzeigen

ETHYL 4-METHYL-5-THIAZOLEACTATEEthyl-4-methyl-5-thiazoly formateETHYL 4-METHYL-5-THIAZOLYL FORMATEEthyl4-Methylthiazole-5-CarboxylatEthyl 4-metylthiazole-5-carboxylateEthyl-4-methyl-5-thizaolecarboxylateETHYL 4-METHYL-5-THIAZOLECARBOXYLATE4-methyl-5-(ethoxycarbonyl)-thiazole5-(Ethoxycarbonyl)-4-methyl-1,3-thiazole

DTXSID00942774HMS1703D02ethyl4-methylthiazole-5-carboxylate4-methyl-5-(ethoxycarbonyl)thiazoleSBB067075thiazole, 5-ethoxycarbonyl-4-methyl-AKOS0006728244-Methylthiazol-5-carbonsaureathylester

Datenbank-Bezeichner

CAS: 20582-55-2
PubChem CID: 298610
DTXSID: DTXSID00942774
EC Number: 606-584-9
Nikkaji: J1.905.411J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 67,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 151

Physikochemische Eigenschaften

Schmelzpunkt: 28 °C · 28°C(lit.)
Siedepunkt: 233 °C · 233°C(lit.)
Dichte: 1.198 · 1.198±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to lump
pka: 1.57 · 1.57±0.10(Predicted)
Farbe: White to Almost white
LogP: 1.41 · 1.410 (est)
CAS Datenbank: 20582 · 20582-55-2(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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.