Grundinformationen
- Standard-SMILES
Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1- InChIKey
WUPRYUDHUFLKFL-UHFFFAOYSA-N- Summenformel
- C18H16N2O2
- Durchschnittliche Molmasse
- 292,3 g/mol
- Monoisotopische Masse
- 292,12117775
Namen und Bezeichner
- Bevorzugter Name
- Benzenamine, 4,4'-[1,3-phenylenebis(oxy)]bis-
- IUPAC
- 4-[3-(4-aminophenoxy)phenoxy]aniline
- Englischer Name
- 1,3-Bis(4-aMinophenoxy)benzene
- Summenformel
- C18H16N2O2
- Molmasse
- 292.33
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
2479-46-1- PubChem CID
- 17201
- DTXSID
DTXSID8051914- ChEMBL
CHEMBL1332684- EC Number
- 628-902-5
- Nikkaji
- J364.793E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 70,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 293
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 115 · 115-118 °C(lit.)
- Siedepunkt
- 434.27 °C · 434.27°C (rough estimate)
- Dichte
- 1.1925 · 1.1925 (rough estimate)
- Brechungsindex
- 1.57 · 1.5700 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- very faint turbidity in Acetonitrile
- Aggregatzustand
- powder to crystal
- pka
- 5.06 · 5.06±0.10(Predicted)
- Farbe
- White to Brown
- InChI
- InChI=1S/C18H16N2O2/c19-13-4-8-15(9-5-13)21-17-2-1-3-18(12-17)22-16-10-6-14(20)7-11-16/h1-12H,19-20H2
- InChIKey
- WUPRYUDHUFLKFL-UHFFFAOYSA-N
- SMILES
- C1(OC2=CC=C(N)C=C2)=CC=CC(OC2=CC=C(N)C=C2)=C1
- CAS Datenbank
- 2479 · 2479-46-1(CAS DataBase Reference)
- EPA chemische Informationen
- 4 · Benzenamine, 4,4'-[1,3-phenylenebis(oxy)]bis- (2479-46-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Benzenamine, 4,4'-[1,3-phenylenebis(oxy)]bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 4,4'-[1,3-phenylenebis(oxy)]bis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29222990
- RTECS-Nr.
- BY8236000
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden1,3-Bis(4'-aminophenoxyl)benzene be used for the preparation of a polyimide material.
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