HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 75229Erstellt: 27. Oktober 2026
1-Acenaphthenone
Acenaphthylen-1(2H)-one · AKOS 94209 · AURORA KA-3379 · ACENAPHTHENONE · 7-Acenaphthenone · 2-Acenaphthenone · 1-ACENAPHTHENONE · Acenaphthen-1-one
https://huagongshe.com/de/chemical/75229
Identifikatoren & physikalische Daten
| CAS No. | 2235-15-6 |
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| Summenformel | C12H8O |
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| Durchschnittliche Molmasse | 168,19 g/mol |
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| Monoisotopische Masse | 168,05751488 g/mol |
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| SMILES | O=C1Cc2cccc3cccc1c23 |
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| InChIKey | JBXIOAKUBCTDES-UHFFFAOYSA-N |
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| PubChem CID | 75229 |
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| ChEMBL | CHEMBL1528162 |
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| EC No. | 878-480-3 |
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| DTXSID | DTXSID50176885 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
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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 | 0 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 233 |
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| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
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| Schmelzpunkt | 122 °C |
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| Siedepunkt | 180 °C / 20mmHg |
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| Dichte | 1.279±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly) |
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| Aggregatzustand | Solid |
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| Farbe | Yellow to Orange |
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| InChI | InChI=1S/C12H8O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6H,7H2 |
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| InChIKey | JBXIOAKUBCTDES-UHFFFAOYSA-N |
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| SMILES | C1(=O)C2C3C(C=CC=2)=CC=CC=3C1 |
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| NIST chemische Informationen | 1-Acenaphenone(2235-15-6) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (50%) |
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| Zollcode | 2907.29.9000 |
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| RTECS-Nr. | AB1070100 |
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| Toxizität | mouse,LD50,intravenous,100mg/kg (100mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01783, |
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