4-Propoxyanilin

Benzenamine, 4-propoxy-

HCID 78221CAS 4469-80-1

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Grundinformationen

Standard-SMILES: CCCOc1ccc(N)cc1
InChIKey: DWOIGSLSPPLRKO-UHFFFAOYSA-N
Summenformel: C9H13NO
Durchschnittliche Molmasse: 151,21 g/mol
Monoisotopische Masse: 151,09971404

Namen und Bezeichner

Bevorzugter Name: Benzenamine, 4-propoxy-
IUPAC: 4-propoxyaniline
Lokaler Name: 4-Propoxyanilin
Englischer Name: 4-PROPOXYANILINE
Summenformel: C9H13NO
Molmasse: 151.21

Namen und Synonyme

4-Propoxyaniline4469-80-1Benzenamine, 4-propoxy-4-propoxybenzenamineEINECS 224-740-0DTXSID6063486RefChem:561906DTXCID3040352224-740-0p-Propoxyaniline4-n-PropoxyanilineMFCD00043621

Weitere Namen anzeigen

AKOS BBB/084AKOS BC-2570TIMTEC-BB SBB0083164-propoxy-benzenamin

4-propoxyaniline hydrochloride4-propoxyphenylamineEN300-619364-Propyloxyaniline4-Propoxyaniline #Aniline, p-propoxy-4-propoxy-phenylamine3EW35D3AFQ

Datenbank-Bezeichner

CAS: 4469-80-1
PubChem CID: 78221
DTXSID: DTXSID6063486
UNII: 3EW35D3AFQ
EC Number: 224-740-0
Nikkaji: J205.851K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 35,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 97

Physikochemische Eigenschaften

Schmelzpunkt: 265 · 265-267℃
Siedepunkt: 261.7 · 261.7±13.0℃ (760 Torr)
Dichte: 1.016 · 1.016±0.06 g/cm3 (20 ºC 760 Torr)
Flammpunkt: 230 °F · >230 °F
Löslichkeit: Slightly soluble (1.3 g/L at 25°C).
Aggregatzustand: Liquid
pka: 5.24 · 5.24±0.10(Predicted)
Farbe: Brown
InChI: InChI=1S/C9H13NO/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6H,2,7,10H2,1H3
InChIKey: DWOIGSLSPPLRKO-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(OCCC)C=C1
CAS Datenbank: 4469 · 4469-80-1
EPA chemische Informationen: 4 · Benzenamine, 4-propoxy- (4469-80-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.