4-Decylanilin

4-Decylaniline

HCID 92309CAS 37529-30-9

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Grundinformationen

Standard-SMILES: CCCCCCCCCCc1ccc(N)cc1
InChIKey: WGENWPANMZLPIH-UHFFFAOYSA-N
Summenformel: C16H27N
Durchschnittliche Molmasse: 233,39 g/mol
Monoisotopische Masse: 233,21434986

Namen und Bezeichner

Bevorzugter Name: 4-Decylaniline
IUPAC: 4-decylaniline
Lokaler Name: 4-Decylanilin
Englischer Name: 4-n-Decylaniline
Summenformel: C16H27N
Molmasse: 233.39

Namen und Synonyme

4-Decylaniline37529-30-94-n-DecylanilineBenzenamine, 4-decyl-p-Decylanilinep-n-Decylaniline4-decylphenylamineEINECS 253-546-9UNII-25X74W976X4-DECYLBENZENAMINE25X74W976XDTXSID9022287

Weitere Namen anzeigen

4-N-Decylanitine4-DecyphenylamineTIMTEC-BB SBB0077204-Decylaniline ,97%(4-decylphenyl)amine4-N-DECYLANILINE 98%

RefChem:98692DTXCID802287253-546-9WGENWPANMZLPIH-UHFFFAOYSA-NMFCD00007918C16H27N4-Decylaniline, 97%SCHEMBL111357

Datenbank-Bezeichner

CAS: 37529-30-9
PubChem CID: 92309
DTXSID: DTXSID9022287
UNII: 25X74W976X
EC Number: 253-546-9
Nikkaji: J150.044I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6,1
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 9
Schwere Atome: 17
Formalladung: 0
Komplexität: 159

Physikochemische Eigenschaften

Schmelzpunkt: 25 °C · 25 °C (lit.)
Siedepunkt: 218 · 218-220 °C/14 mmHg (lit.)
Dichte: 0.8952 · 0.8952 (estimate)
Brechungsindex: 1.51 · 1.5100
Flammpunkt: 230 °F · >230 °F
pka: 4.96 · 4.96±0.10(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Brown
Wasserlöslichkeit: Insoluble in water.
BRN: 2721403 · 2721403
InChI: 1S/C16H27N/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15/h11-14H,2-10,17H2,1H3
InChIKey: WGENWPANMZLPIH-UHFFFAOYSA-N
SMILES: CCCCCCCCCCc1ccc(N)cc1
CAS Datenbank: 37529 · 37529-30-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 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
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

VerwendenIt is used to synthesize p,p'-Di-n-decyl-azobenzol could be obtained by the reactant of 4-Decylaniline, and the reagents of O2, CuCl, pyridine.