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HCID 15053Erstellt: 26. Oktober 2026
2,3-Dihydro-1,4-benzodioxin-2-methylamin
(2,3-DIHYDROBENZO[B][1,4]DIOXIN-2-YL)METHANAMINE · 946f · USAF EL-48 · fourneau946 · AKOS BB-8797 · BUTTPARK 36\04-10 · RARECHEM AL BW 1447 · TIMTEC-BB SBB006958
https://huagongshe.com/de/chemical/15053
Identifikatoren & physikalische Daten
| CAS No. | 4442-59-5 |
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| Summenformel | C9H11NO2 |
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| Durchschnittliche Molmasse | 165,19 g/mol |
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| Monoisotopische Masse | 165,07897859 g/mol |
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| SMILES | NCC1COc2ccccc2O1 |
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| InChIKey | JHNURUNMNRSGRO-UHFFFAOYSA-N |
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| PubChem CID | 15053 |
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| EC No. | 224-671-6 |
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| DTXSID | DTXSID801305746 |
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| Lokaler Name | 2,3-Dihydro-1,4-benzodioxin-2-methylamin |
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Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
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| Polarare Oberfläche (TPSA) | 44,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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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 | 151 |
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| Schmelzpunkt | 184-188 °C |
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| Siedepunkt | 105-110 °C/3 mmHg |
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| Dichte | 1.1679 g/mL at 25 °C |
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| Brechungsindex | n20/D 1.5594 |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
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| Löslichkeit | Chloroform, Ethyl Acetate |
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| pKa (Säurekonstante) | 8.88±0.29(Predicted) |
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| Aggregatzustand | Oil |
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| Farbe | Clear Colorless |
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| InChI | 1S/C9H11NO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6,10H2 |
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| InChIKey | JHNURUNMNRSGRO-UHFFFAOYSA-N |
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| SMILES | NCC1COc2ccccc2O1 |
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| CAS Datenbank | 4442-59-5(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (97.6%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | 2735 |
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| Zollcode | 2932990090 |
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| RTECS-Nr. | DF3676000 |
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| R-Sätze (R) | 34-41-37/38 |
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| Toxizität | LDLo intravenous in rabbit: 60mg/kg |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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| Gefahrenklasse | IRRITANTEye Dam. 1Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 10 - Combustible liquids |
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