3-(4-Aminophenoxy)anilin

3-(4-Aminophenoxy)aniline

HCID 75871CAS 2657-87-6

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Grundinformationen

Standard-SMILES: Nc1ccc(Oc2cccc(N)c2)cc1
InChIKey: ZBMISJGHVWNWTE-UHFFFAOYSA-N
Summenformel: C12H12N2O
Durchschnittliche Molmasse: 200,24 g/mol
Monoisotopische Masse: 200,094963

Namen und Bezeichner

Bevorzugter Name: 3-(4-Aminophenoxy)aniline
IUPAC: 3-(4-aminophenoxy)aniline
Lokaler Name: 3-(4-Aminophenoxy)anilin
Englischer Name: 3,4'-Oxydianiline
Summenformel: C12H12N2O
Molmasse: 200.24

Namen und Synonyme

2657-87-63-(4-Aminophenoxy)aniline3,4'-Diaminodiphenyl EtherEINECS 220-190-0ZBMISJGHVWNWTE-UHFFFAOYSA-DTXSID80181144RefChem:492582DTXCID90103635220-190-0InChI=1/C12H12N2O/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H,13-14H23,4'-Oxydianiline3,4-oxydianiline

Weitere Namen anzeigen

DAPE3,4'-DPEJACS-2657-87-63,4'-0xydianiline3,4'-Diaminodiphenyl3,4'-Oxybis(aniline)

Benzenamine, 3-(4-aminophenoxy)-MFCD000360973,4'-Oxydianiline, 97%3,4'-Oxydianiline (3,4'-ODA)3,4'-Diamino diphenylether3,4'-oda3,4'-OxydiphenylamineSCHEMBL63373

Datenbank-Bezeichner

CAS: 2657-87-6
PubChem CID: 75871
DTXSID: DTXSID80181144
EC Number: 220-190-0
Nikkaji: J32.005F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 61,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 190

Physikochemische Eigenschaften

Schmelzpunkt: 67 · 67-71 °C(lit.)
Siedepunkt: 206.5 °C1 · 206.5 °C1 mm Hg(lit.)
Dichte: 1.1131 · 1.1131 (rough estimate)
Brechungsindex: 1.666 · 1.6660 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Chloroform, Methanol
pka: 4.78 · 4.78±0.10(Predicted)
Aggregatzustand: Solid
Farbe: Off-White
Stabilität: Light sensitive
InChI: InChI=1S/C12H12N2O/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H,13-14H2
InChIKey: ZBMISJGHVWNWTE-UHFFFAOYSA-N
SMILES: C1(N)=CC=CC(OC2=CC=C(N)C=C2)=C1
CAS Datenbank: 2657 · 2657-87-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301+H311+H331 (14%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 57 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (14%)

Sicherheitsdaten

wgk: 3
ridadr: UN2811 - class 6.1 - PG 2 - EHS - Toxic solids, organic, n.o.s., HI: all
hs_code: 29222990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: 6.1
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Carc. 2Muta. 2Repr. 2Skin Sens. 1

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung3,4'-Oxydianiline (3,4'-ODA) is a phenyl ether derivative capped at both ends with two amines in the para and meta positions. 3,4'-ODA is commonly used in the synthesis of polyimides which have multifunctional properties.3,4'-ODA is transparent and can be used as a substrate for displays. Polyimides are transparent and can be used as substrates for displays. 3,4'-ODA can also be used to synthesise organic porous materials with a BET surface area of up to 351 m2/g. Polyetherimide membranes made from this diamine structural unit show good permeation during water-isopropanol separation.

Verwenden3,4'-Oxydianiline is an ether organic substance and can be used as a pharmaceutical intermediate.