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HCID 85648Erstellt: 26. Oktober 2026
2,6-Dimethoxybenzonitril
AKOS 227-44 · 2,6-DIMETHOXYBENZONI · 2,6 methoxybenzonitrile · 2,6-dimethoxy-benzonitril · 2,6-Dimethoxybenzonitrile · Benzonitrile, 2,6-dimethoxy- · 2,6-Dimethoxybenzonitrile,97% · 2,6-Dimethoxybenzenecarbonitrile
https://huagongshe.com/de/chemical/85648
Identifikatoren & physikalische Daten
| CAS No. | 16932-49-3 |
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| Summenformel | C9H9NO2 |
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| Durchschnittliche Molmasse | 163,17 g/mol |
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| Monoisotopische Masse | 163,06332853 g/mol |
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| SMILES | COc1cccc(OC)c1C#N |
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| InChIKey | XHAHKSSLDJIEDH-UHFFFAOYSA-N |
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| PubChem CID | 85648 |
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| EC No. | 241-000-2 |
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| DTXSID | DTXSID70168702 |
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| Lokaler Name | 2,6-Dimethoxybenzonitril |
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Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
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| Polarare Oberfläche (TPSA) | 42,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 172 |
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| Schmelzpunkt | 119-123 °C |
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| Siedepunkt | 310 °C |
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| Dichte | 1.2021 (rough estimate) |
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| Brechungsindex | 1.5300 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | Crystalline Powder |
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| Farbe | Light beige |
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| CAS Datenbank | 16932-49-3(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 2 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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| Zollcode | 29269095 |
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| R-Sätze (R) | 20/21/22 |
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| Toxizität | rat,LD,oral,> 500mg/kg (500mg/kg),National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 17, 1953. |
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| Gefahrensymbole | Xn,Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 36/37-36-26 |
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