HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 95365Erstellt: 26. Oktober 2026
3-Phenylphthalid
AURORA KA-7267 · 3-phenyl-phthalid · 3-PHENYLPHTHALIDE · TIMTEC-BB SBB008407 · 3-Phenylphthalide>3-phenyl-1(3h)-isobenzofuranon · 3-Phenylisobenzofuran-1(3H)-one · 3-PHENYL-1(3H)-ISOBENZOFURANONE · 3-PHENYL-3H-ISOBENZOFURAN-1-ONE
https://huagongshe.com/de/chemical/95365
Identifikatoren & physikalische Daten
| CAS No. | 5398-11-8 |
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| Summenformel | C14H10O2 |
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| Durchschnittliche Molmasse | 210,23 g/mol |
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| Monoisotopische Masse | 210,06807956 g/mol |
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| SMILES | O=C1OC(c2ccccc2)c2ccccc21 |
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| InChIKey | SQFMIHCARVMICF-UHFFFAOYSA-N |
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| PubChem CID | 95365 |
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| ChEMBL | CHEMBL1454085 |
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| EC No. | 226-426-9 |
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| DTXSID | DTXSID901034942 |
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| Lokaler Name | 3-Phenylphthalid |
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Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
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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 | 16 |
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| Formalladung | 0 |
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| Komplexität | 268 |
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| LogP (Verteilungskoeffizient) | 2.64 |
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| Schmelzpunkt | 120-122°C |
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| Siedepunkt | 368.9±41.0 °C(Predicted) |
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| Dichte | 1.234±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Storage temp. 2-8°C |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Almost white |
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| BRN | 159678 |
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| InChI | InChI=1S/C14H10O2/c15-14-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-9,13H |
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| InChIKey | SQFMIHCARVMICF-UHFFFAOYSA-N |
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| SMILES | C1(=O)C2=C(C=CC=C2)C(C2=CC=CC=C2)O1 |
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| CAS Datenbank | 5398-11-8(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (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)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%) |
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| Zollcode | 2932.20.4500 |
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| RTECS-Nr. | TI3800000 |
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| Sicherheitshinweise (S) | 22-24/25 |
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