HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 314787Erstellt: 26. Oktober 2026
1-Phenyloxindole
1-PHENYLINDOLIN-2-ONE · Phenyloxindol · PHENYLOXINDOLE · 1-PHENYLOXINDOLE · n-phenyloxindole · N-phenylindoleone · 1-PHENYLLOX INDOLE · 1-phenoxy-1H-indole
https://huagongshe.com/de/chemical/314787
Identifikatoren & physikalische Daten
| CAS No. | 3335-98-6 |
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| Summenformel | C14H11NO |
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| Durchschnittliche Molmasse | 209,24 g/mol |
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| Monoisotopische Masse | 209,08406397 g/mol |
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| SMILES | O=C1Cc2ccccc2N1c1ccccc1 |
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| InChIKey | OWPNVXATCSXTBK-UHFFFAOYSA-N |
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| PubChem CID | 314787 |
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| ChEMBL | CHEMBL1305587 |
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| EC No. | 441-020-3 |
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| DTXSID | DTXSID50310944 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
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| Polarare Oberfläche (TPSA) | 20,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 270 |
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| Schmelzpunkt | 123-125 |
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| Siedepunkt | 443.6±25.0 °C(Predicted) |
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| Dichte | 1.228±0.06 g/cm3(Predicted) |
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| Dampfdruck | 0.002Pa at 20℃ |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | Practically insoluble in water74.3mg/L at 20℃ |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | -3.41±0.20(Predicted) |
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| Farbe | White to Light yellow |
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| InChI | InChI=1S/C14H11NO/c16-14-10-11-6-4-5-9-13(11)15(14)12-7-2-1-3-8-12/h1-9H,10H2 |
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| InChIKey | OWPNVXATCSXTBK-UHFFFAOYSA-N |
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| SMILES | N1(C2=CC=CC=C2)C2=C(C=CC=C2)CC1=O |
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| LogP (Verteilungskoeffizient) | 2.6 at 26℃ |
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| CAS Datenbank | 3335-98-6(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Regulatorische Informationen | Status: Active Update: 24-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/13006Status: Active Update: 10-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19230 |
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| Hazard Classes and Categories | Aquatic Chronic 2 (100%) |
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| Zollcode | 2933790090 |
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| Gefahrensymbole | Xi |
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| Gefahrenklasse | IRRITANT |
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