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HCID 39656Erstellt: 1. November 2026
2,3,6-Trichloranisol
2,3,6-TRICHLOROANISOL · 2,3,6-TRICHLOROANISOLE · 2,5,6-Trichloroanisole · Lubiprostone Impurity 15 · 2,3,6-Trichloroanisole-d3 · 2,3,6-TRICHLOROANISOLE PESTANAL · 3-Methoxy-1,2,4-trichlorobenzene · C17713600 2,3,6-Trichloroanisole
https://huagongshe.com/de/chemical/39656
Identifikatoren & physikalische Daten
| CAS No. | 50375-10-5 |
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| Summenformel | C7H5Cl3O |
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| Durchschnittliche Molmasse | 211,5 g/mol |
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| Monoisotopische Masse | 209,940598 g/mol |
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| SMILES | COc1c(Cl)ccc(Cl)c1Cl |
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| InChIKey | OTFNCXLUCRUNCH-UHFFFAOYSA-N |
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| PubChem CID | 39656 |
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| EC No. | 256-561-9 |
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| DTXSID | DTXSID60198432 |
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| Lokaler Name | 2,3,6-Trichloranisol |
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Chemische & physikalische Eigenschaften
| XLogP | 4 |
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| Polarare Oberfläche (TPSA) | 9,2 |
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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 | 11 |
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| Formalladung | 0 |
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| Komplexität | 131 |
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| SpringerMaterials Properties | Chemical shift |
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| LogP (Verteilungskoeffizient) | 3.76 |
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| Schmelzpunkt | 45°C |
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| Siedepunkt | 303.65°C (rough estimate) |
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| Dichte | 1.4907 (rough estimate) |
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| Brechungsindex | 1.5510 (estimate) |
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| Flammpunkt | 113 °C |
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| Henry-Konstante | 1.1×10-2 mol/(m3Pa) at 25℃, Diaz et al. (2005) |
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| Hauptanwendungen | agricultureenvironmental |
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| InChI | 1S/C7H5Cl3O/c1-11-7-5(9)3-2-4(8)6(7)10/h2-3H,1H3 |
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| InChIKey | OTFNCXLUCRUNCH-UHFFFAOYSA-N |
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| SMILES | COc1c(Cl)ccc(Cl)c1Cl |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.Not ClassifiedAggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Not Classified |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| UN-Transportnummer | UN2811 6.1/PG 3 |
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| Sicherheitshinweise (S) | 22-24/25 |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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