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1,4-Benzodioxan-6-ylamin
2,3-dihydrobenzo[b][1,4]dioxin-6-amine · 2,3-DIHYDRO-1,4-BENZODIOXIN-6-AMINE · 6-Amino-2,3-dihydro-1,4-benzodioxine · AKOS AUF02030 · AKOS BBS-00000780 · LABOTEST-BB LT00012696 · -Amino-1,4-benzodioxan · 3,4-ETHYLENDIOXYANILINE
Identifikatoren & physikalische Daten
| CAS No. | 22013-33-8 |
|---|---|
| Summenformel | C8H9NO2 |
| Durchschnittliche Molmasse | 151,16 g/mol |
| Monoisotopische Masse | 151,06332853 g/mol |
| SMILES | Nc1ccc2c(c1)OCCO2 |
| InChIKey | BZKOZYWGZKRTIB-UHFFFAOYSA-N |
| PubChem CID | 89148 |
| EC No. | 244-718-4 |
| DTXSID | DTXSID50176461 |
| Lokaler Name | 1,4-Benzodioxan-6-ylamin |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 44,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 140 |
| Schmelzpunkt | 29-31 °C (lit.) |
| Siedepunkt | 116-118°C 3mm |
| Dichte | 1.231 g/mL (lit.) |
| Brechungsindex | n20/D 1.599(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Aggregatzustand | Viscous Liquid After Melting |
| pKa (Säurekonstante) | 4.83±0.20(Predicted) |
| Wichte | 1.231 |
| Farbe | Brown to black |
| Löslichkeit | insoluble |
| BRN | 6447 |
| InChI | InChI=1S/C8H9NO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4,9H2 |
| InChIKey | BZKOZYWGZKRTIB-UHFFFAOYSA-N |
| SMILES | O1C2=CC=C(N)C=C2OCC1 |
| CAS Datenbank | 22013-33-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 6-Amino-1,4-benzodioxane: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (98%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2810 |
| Zollcode | 29329995 |
| R-Sätze (R) | 20/21/22-36/37/38-38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 26-37/39-36/37-36 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1,4-Benzodioxan-6-amine was used in the synthesis of N-(2-hydroxy-ethyl)-2,3-didehydroazapodophyllotoxins having anti-tumor activity and dioxanoacridinones.