HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 78787Erstellt: 26. Oktober 2026
5-Methoxyindan-1-on
5-Methoxy-2,3-dihydro-1H-inden-1-one · 5-METHOXYINDANONE · 5-METHOXYINDAN-1-ONE · 5-ethoxy-1-indanone · 5-METHOXY-1-INDANONE · 5-Methoxyl-1-indanone · 5-Methoxy-1-indanone>5-METHOXY-1-INDANONE 98% · 5-Methoxyindan-1-one 98%
https://huagongshe.com/de/chemical/78787
Identifikatoren & physikalische Daten
| CAS No. | 5111-70-6 |
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| Summenformel | C10H10O2 |
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| Durchschnittliche Molmasse | 162,18 g/mol |
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| Monoisotopische Masse | 162,06807956 g/mol |
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| SMILES | COc1ccc2c(c1)CCC2=O |
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| InChIKey | QOPRWBRNMPANKN-UHFFFAOYSA-N |
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| PubChem CID | 78787 |
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| ChEMBL | CHEMBL3186856 |
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| EC No. | 225-838-6 |
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| DTXSID | DTXSID30199118 |
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| Lokaler Name | 5-Methoxyindan-1-on |
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Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
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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 | 12 |
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| Formalladung | 0 |
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| Komplexität | 188 |
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| Schmelzpunkt | 107-109 °C (lit.) |
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| Siedepunkt | 150 °C / 2mmHg |
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| Dichte | 1.0281 (rough estimate) |
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| Brechungsindex | 1.6000 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | Crystalline Powder |
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| Farbe | Light green-brownish |
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| Geruchsschwelle | 0.00048ppm |
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| BRN | 1282137 |
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| InChI | InChI=1S/C10H10O2/c1-12-8-3-4-9-7(6-8)2-5-10(9)11/h3-4,6H,2,5H2,1H3 |
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| InChIKey | QOPRWBRNMPANKN-UHFFFAOYSA-N |
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| SMILES | C1(=O)C2=C(C=C(OC)C=C2)CC1 |
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| CAS Datenbank | 5111-70-6(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 1 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 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN2811 |
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| Zollcode | 29145000 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Gefahrensymbole | Xn,Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 22-24/25-36/37-36-26 |
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| Lagerklasse | 11 - Combustible Solids |
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