4-Octylanilin

4-Octylaniline

HCID 85346CAS 16245-79-7

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Grundinformationen

Standard-SMILES: CCCCCCCCc1ccc(N)cc1
InChIKey: ORKQJTBYQZITLA-UHFFFAOYSA-N
Summenformel: C14H23N
Durchschnittliche Molmasse: 205,34 g/mol
Monoisotopische Masse: 205,18304974

Namen und Bezeichner

Bevorzugter Name: 4-Octylaniline
IUPAC: 4-octylaniline
Lokaler Name: 4-Octylanilin
Englischer Name: 4-n-Octylaniline
Summenformel: C14H23N
Molmasse: 205.34

Namen und Synonyme

4-Octylaniline4-n-Octylaniline16245-79-7p-OctylanilineBenzenamine, 4-octyl-4-Octylphenylamine4-octylbenzenaminep-n-octylanilineO9FN212WZZEINECS 240-358-7ANILINE, P-OCTYL-DTXSID6022266

Weitere Namen anzeigen

4-octyl-Octylaniline4-n-Octylaniline>TIMTEC-BB SBB008315

RefChem:526074DTXCID802266240-358-74-octyl anilineMFCD00007929SCHEMBL111952AKOS015839936SB78179

Datenbank-Bezeichner

CAS: 16245-79-7
PubChem CID: 85346
DTXSID: DTXSID6022266
UNII: O9FN212WZZ
EC Number: 240-358-7
Nikkaji: J46.001J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 7
Schwere Atome: 15
Formalladung: 0
Komplexität: 136

Physikochemische Eigenschaften

Schmelzpunkt: 17 °C · 17°C
Siedepunkt: 175 °C/13 · 175 °C/13 mmHg (lit.)
Dichte: 0.898 g/mL · 0.898 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.516(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: powder to lump to clear liquid
pka: 4.96 · 4.96±0.10(Predicted)
Farbe: White or Colorles to Yellow to Orange
Wasserlöslichkeit: Insoluble in water.
InChI: InChI=1S/C14H23N/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8,15H2,1H3
InChIKey: ORKQJTBYQZITLA-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(CCCCCCCC)C=C1
CAS Datenbank: 16245 · 16245-79-7(CAS DataBase Reference)
EPA chemische Informationen: 4 · 4-Octylaniline (16245-79-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (11.4%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (11.4%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3082 9 / PGIII
hs_code: 29214990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Octylaniline can be been used as an extractant during the extraction of microgram level concentrations of ruthenium(IV) from halide medium. It can also been used in the synthesis of selective benzimidazole based analogs of sphingosine-1-phosphate.