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HCID 73239Erstellt: 24. Oktober 2026

Ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate

AURORA 19935 · BUTTPARK 16\03-22 · AKOS BBS-00007970 · TIMTEC-BB SBB005543 · ETHYL 2-AMINO-4-PHENYLTHIAZOLE-5-CARBOX& · Ethyl-2-aMino-4-phenyl-5-thiazolecarboxy... · Ethyl 2-amino-4-phenylthiazol-5-carboxylate · ETHYL 2-AMINO-4-PHENYLTHIAZOLE-5-CARBOXYLATE

https://huagongshe.com/de/chemical/73239

Molekülstruktur von Ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate

Identifikatoren & physikalische Daten

CAS No.64399-23-1
SummenformelC12H12N2O2S
Durchschnittliche Molmasse248,3 g/mol
Monoisotopische Masse248,06194862 g/mol
SMILESCCOC(=O)c1sc(N)nc1-c1ccccc1
InChIKeyOZMXFXOHCUEEPD-UHFFFAOYSA-N
PubChem CID73239
ChEMBLCHEMBL367971
EC No.624-146-5
DTXSIDDTXSID80214643

Chemische & physikalische Eigenschaften

XLogP2,8
Polarare Oberfläche (TPSA)93,5
H-Brücken-Donoren1
H-Brücken-Akzeptoren5
Frei drehbare Bindungen4
Schwere Atome17
Formalladung0
Komplexität269
Schmelzpunkt169-173 °C (lit.)
Siedepunkt449.1±33.0 °C(Predicted)
Dichte1.2701 (rough estimate)
Brechungsindex1.5950 (estimate)
Lagerbedingungen2-8°C, protect from light
Löslichkeitsoluble in Dimethylformamide
pKa (Säurekonstante)2.51±0.10(Predicted)
AggregatzustandCrystalline Powder
FarbeLight brown
BRN222259
InChI1S/C12H12N2O2S/c1-2-16-11(15)10-9(14-12(13)17-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,13,14)
InChIKeyOZMXFXOHCUEEPD-UHFFFAOYSA-N
SMILESCCOC(=O)c1sc(N)nc1-c2ccccc2
CAS Datenbank64399-23-1(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Wassergefährdungsklasse (WGK)3
Zollcode29341000
R-Sätze (R)22-36
GefahrensymboleXn,Xi
Sicherheitshinweise (S)26-36
GefahrenklasseIRRITANTAcute Tox. 4 OralEye Irrit. 2
Lagerklasse11 - Combustible Solids