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HCID 68464Erstellt: 26. Oktober 2026
3-Benzylidenphthalid
NSC2824 · NSC 2824 · NSC-2824 · escalol547 · AURORA 2435 · Benzalphthalid · Benzalphthalein · Benzal Pthalide
https://huagongshe.com/de/chemical/68464
Identifikatoren & physikalische Daten
| CAS No. | 575-61-1 |
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| Summenformel | C15H10O2 |
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| Durchschnittliche Molmasse | 222,24 g/mol |
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| Monoisotopische Masse | 222,06807956 g/mol |
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| SMILES | O=C1OC(=Cc2ccccc2)c2ccccc21 |
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| InChIKey | YRTPZXMEBGTPLM-UHFFFAOYSA-N |
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| PubChem CID | 68464 |
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| EC No. | 209-388-8 |
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| DTXSID | DTXSID60870620 |
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| Lokaler Name | 3-Benzylidenphthalid |
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Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
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| Polarare Oberfläche (TPSA) | 26,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 326 |
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| Schmelzpunkt | 99-102 °C (lit.) |
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| Siedepunkt | 323.41°C (rough estimate) |
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| Dichte | 1.1404 (rough estimate) |
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| Brechungsindex | 1.6600 (estimate) |
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| Lagerbedingungen | Storage temp. 2-8°C |
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| Aggregatzustand | Solid |
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| Farbe | Off-white to yellow |
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| Kosmetik-Inhaltsstoffe Funktionen | UV ABSORBER |
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| InChI | 1S/C15H10O2/c16-15-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-10H/b14-10- |
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| InChIKey | YRTPZXMEBGTPLM-UVTDQMKNSA-N |
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| SMILES | O=C1OC(=C/c2ccccc2)\c3ccccc13 |
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| LogP (Verteilungskoeffizient) | 4.270 (est) |
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| CAS Datenbank | 575-61-1(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 3 of 3 companies. For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 3 of 3 reports by companies.There are 0 notifications provided by 0 of 3 reports by companies with hazard statement code(s).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: 11-09-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/8306 |
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| Hazard Classes and Categories | Not Classified |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29329900 |
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| RTECS-Nr. | TI3686000 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 24/25-36-26 |
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| Lagerklasse | 11 - Combustible Solids |
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