HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 98146Erstellt: 27. Oktober 2026
1-Indanone, 3-phenyl-
3-phenyl-2,3-dihydro-1H-inden-1-one · Nsc 82364 · Brn 1370263 · AKOS BC-0964 · 3-Phenylindanone · 3-phenyl-1-indanon · 3-PHENYL-1-INDANONE · 3-PHENYLINDAN-1-ONE
https://huagongshe.com/de/chemical/98146
Identifikatoren & physikalische Daten
| CAS No. | 16618-72-7 |
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| Summenformel | C15H12O |
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| Durchschnittliche Molmasse | 208,25 g/mol |
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| Monoisotopische Masse | 208,088815 g/mol |
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| SMILES | O=C1CC(c2ccccc2)c2ccccc21 |
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| InChIKey | SIUOTMYWHGODQX-UHFFFAOYSA-N |
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| PubChem CID | 98146 |
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| ChEMBL | CHEMBL1571712 |
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| EC No. | 625-438-5 |
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| DTXSID | DTXSID701314027 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
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| Polarare Oberfläche (TPSA) | 17,1 |
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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 | 265 |
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| Schmelzpunkt | 75-78 °C (lit.) |
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| Siedepunkt | 148 °C/0.7 mmHg (lit.) |
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| Dichte | 1.162 |
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| Brechungsindex | 1.5361 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| InChI | 1S/C15H12O/c16-15-10-14(11-6-2-1-3-7-11)12-8-4-5-9-13(12)15/h1-9,14H,10H2 |
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| InChIKey | SIUOTMYWHGODQX-UHFFFAOYSA-N |
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| SMILES | O=C1CC(c2ccccc2)c3ccccc13 |
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| CAS Datenbank | 16618-72-7 |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.WarningH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 1 of 40 reports by companies.There is 1 notification provided by 39 of 40 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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| Hazard Classes and Categories | Acute Tox. 4 (97.5%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| RTECS-Nr. | NK7538200 |
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| R-Sätze (R) | 22 |
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| Toxizität | mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02960, |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 36 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 Oral |
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