1,4-Benzodioxan-6-ylamin

1,4-Benzodioxan-6-ylamine

HCID 89148CAS 22013-33-8

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Grundinformationen

Standard-SMILES: Nc1ccc2c(c1)OCCO2
InChIKey: BZKOZYWGZKRTIB-UHFFFAOYSA-N
Summenformel: C8H9NO2
Durchschnittliche Molmasse: 151,16 g/mol
Monoisotopische Masse: 151,06332853

Namen und Bezeichner

Bevorzugter Name: 1,4-Benzodioxan-6-ylamine
IUPAC: 2,3-dihydro-1,4-benzodioxin-6-amine
Lokaler Name: 1,4-Benzodioxan-6-ylamin
Englischer Name: 1,4-Benzodioxan-6-amine
Summenformel: C8H9NO2
Molmasse: 151.16

Namen und Synonyme

22013-33-81,4-Benzodioxan-6-amine6-Amino-1,4-benzodioxane1,4-Benzodioxan-6-ylamine1,4-Benzodioxin-6-amine, 2,3-dihydro-DTXSID50176461EINECS 244-718-4RefChem:416358DTXCID2098952244-718-42,3-Dihydro-1,4-benzodioxin-6-amine2,3-Dihydrobenzo[b][1,4]dioxin-6-amine

Weitere Namen anzeigen

6-Amino-2,3-dihydro-1,4-benzodioxineAKOS AUF02030AKOS BBS-00000780LABOTEST-BB LT00012696-Amino-1,4-benzodioxan3,4-ETHYLENDIOXYANILINE

3,4-Ethylenedioxyaniline6-Amino-1,4-benzodioxanMFCD00006824(3,4-Ethylenedioxy)anilineOprea1_6912701,4-Benzodioxan-6-amine, >=98%AKOS0001125492,3-dihydrobenzo[1,4]dioxin-6-ylamine

Datenbank-Bezeichner

CAS: 22013-33-8
PubChem CID: 89148
DTXSID: DTXSID50176461
EC Number: 244-718-4
Nikkaji: J208.496A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 44,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 140

Physikochemische Eigenschaften

Schmelzpunkt: 29 · 29-31 °C (lit.)
Siedepunkt: 116 · 116-118°C 3mm
Dichte: 1.231 g/mL · 1.231 g/mL (lit.)
Brechungsindex: 20 · n20/D 1.599(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Aggregatzustand: Viscous Liquid After Melting
pka: 4.83 · 4.83±0.20(Predicted)
Wichte: 1.231 · 1.231
Farbe: Brown to black
Wasserlöslichkeit: insoluble
BRN: 6447 · 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 · 22013-33-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (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.

Gefahrenhinweise

Regulatory Information6-Amino-1,4-benzodioxane: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (98%)

Sicherheitsdaten

wgk: 3
ridadr: 2810
hs_code: 29329995
risk_code: 20/21/22-36/37/38-38
hazard_code: Xn,Xi
hazard_note: Harmful
safety_code: 26-37/39-36/37-36
hazard_class: 6.1
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden1,4-Benzodioxan-6-amine was used in the synthesis of N-(2-hydroxy-ethyl)-2,3-didehydroazapodophyllotoxins having anti-tumor activity and dioxanoacridinones.