Grundinformationen
- Standard-SMILES
COc1cc2c(cc1N)oc1ccccc12- InChIKey
SGQVWNYSHWQNOS-UHFFFAOYSA-N- Summenformel
- C13H11NO2
- Durchschnittliche Molmasse
- 213,23 g/mol
- Monoisotopische Masse
- 213,07897859
Namen und Bezeichner
- Bevorzugter Name
- 2-Methoxy-3-dibenzofuranamine
- IUPAC
- 2-methoxydibenzofuran-3-amine
- Englischer Name
- 3-Amino-2-methoxydibenzofuran
- Summenformel
- C13H11NO2
- Molmasse
- 213.23
Namen und Synonyme
3-Amino-2-methoxydibenzofuran5834-17-32-Methoxy-3-aminodibenzofuran2-Methoxy-3-dibenzofuranamine2-Amino-3-methoxydiphenylenoxydDTXSID90208253-DIBENZOFURANAMINE, 2-METHOXY-BRN 0176944DTXCID7082536C8S7H3NZ2-Amino-3-methoxydiphenylenoxyd [German]METHOXY-3-AMINODIBENZOFURAN, 2-
Weitere Namen anzeigen
AKOS BBS-00004478TIMTEC-BB SBB0005313-amino-2-methoxydibLABOTEST-BB LT000807842-methoxy-3-dibenzofuranamin3-Amin-2-methoxydibenzofuran2-amino-3-methoxydibenzofuran
4-18-00-07352 (Beilstein Handbook Reference)RefChem:474195611-644-22-Methoxydibenzo[b,d]furan-3-amine2-methoxydibenzofuran-3-amine(2-methoxydibenzo[b,d]furan-3-yl)amineMFCD00011554Oprea1_315231
Datenbank-Bezeichner
- CAS
5834-17-3- PubChem CID
- 22086
- DTXSID
DTXSID9020825- ChEMBL
CHEMBL3188571- UNII
- 36C8S7H3NZ
- EC Number
- 611-644-2
- Nikkaji
- J34.843K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 48,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 258
Physikochemische Eigenschaften
- Schmelzpunkt
- 92 · 92-94 °C(lit.)
- Siedepunkt
- 353.22 °C · 353.22°C (rough estimate)
- Dichte
- 1.1544 · 1.1544 (rough estimate)
- Brechungsindex
- 1.57 · 1.5700 (estimate)
- pka
- 3.91 · 3.91±0.30(Predicted)
- InChI
- 1S/C13H11NO2/c1-15-13-6-9-8-4-2-3-5-11(8)16-12(9)7-10(13)14/h2-7H,14H2,1H3
- InChIKey
- SGQVWNYSHWQNOS-UHFFFAOYSA-N
- SMILES
- COc1cc2c(cc1N)oc3ccccc23
- CAS Datenbank
- 5834 · 5834-17-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2932990090
- RTECS-Nr.
- HP4900000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden3-Amino-2-methoxydibenzofuran has been used in the preparation of end functional poly(N-isopropylacrylamide) (PNIPAM).
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