HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 6097Erstellt: 26. Oktober 2026
Dioxindole
dioxindol · Dioxindole · 3-hydroxyoxindole · o-Aminomandelic lactam · 3-Hydroxyindoline-2-one · 3-Hydroxy-1H-indole-2(3H)-one · 3-hydroxy-1,3-dihydroindol-2-one · 3-hydroxy-1,3-dihydro-2H-indol-2-one
https://huagongshe.com/de/chemical/6097
Identifikatoren & physikalische Daten
| CAS No. | 61-71-2 |
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| Summenformel | C8H7NO2 |
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| Durchschnittliche Molmasse | 149,15 g/mol |
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| Monoisotopische Masse | 149,04767847 g/mol |
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| SMILES | O=C1Nc2ccccc2C1O |
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| InChIKey | SGZFJWQQBHYNNF-UHFFFAOYSA-N |
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| PubChem CID | 6097 |
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| ChEMBL | CHEMBL2152717 |
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| ChEBI | CHEBI:28536 |
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| EC No. | 826-730-7 |
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| DTXSID | DTXSID801018937 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
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| Polarare Oberfläche (TPSA) | 49,3 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 181 |
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| Schmelzpunkt | 167-168 °C |
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| Siedepunkt | 368.2±42.0 °C(Predicted) |
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| Dichte | 1.380±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 12.35±0.20(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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