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HCID 23697Erstellt: 4. November 2026

Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-methyl-4-oxo-, ethyl ester

4,5,6,7-tetrahydro-3-methyl-4-oxo-indole-2-carboxylicaciethylester · 4,5,6,7-Tetrahydro-3-methyl-4-oxo-indole-2-carboxylic acid ethyl ester · 3-Methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid ethyl ester · 1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-methyl-4-oxo-, ethyl ester

https://huagongshe.com/de/chemical/23697

Molekülstruktur von Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-methyl-4-oxo-, ethyl ester

Identifikatoren & physikalische Daten

CAS No.7272-58-4
SummenformelC12H15NO3
Durchschnittliche Molmasse221,25 g/mol
Monoisotopische Masse221,10519334 g/mol
SMILESCCOC(=O)c1[nH]c2c(c1C)C(=O)CCC2
InChIKeyVQLLFMATRGJDCH-UHFFFAOYSA-N
PubChem CID23697
EC No.819-467-4
DTXSIDDTXSID90223024

Chemische & physikalische Eigenschaften

XLogP1,8
Polarare Oberfläche (TPSA)59,2
H-Brücken-Donoren1
H-Brücken-Akzeptoren3
Frei drehbare Bindungen3
Schwere Atome16
Formalladung0
Komplexität303
Schmelzpunkt165-167 °C(Solv: ethanol (64-17-5))
Siedepunkt428.2±45.0 °C(Predicted)
Dichte1.217±0.06 g/cm3(Predicted)
pKa (Säurekonstante)14.45±0.20(Predicted)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
AlarmwortWarnung
GefahrenhinweiseCode Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302