4-Ethylanilin

4-Ethylaniline

HCID 11504CAS 589-16-2

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Grundinformationen

Standard-SMILES: CCc1ccc(N)cc1
InChIKey: HRXZRAXKKNUKRF-UHFFFAOYSA-N
Summenformel: C8H11N
Durchschnittliche Molmasse: 121,18 g/mol
Monoisotopische Masse: 121,08914935

Namen und Bezeichner

Bevorzugter Name: 4-Ethylaniline
IUPAC: 4-ethylaniline
Lokaler Name: 4-Ethylanilin
Englischer Name: 4-Ethylaniline
Summenformel: C8H11N
Molmasse: 121.18

Namen und Synonyme

4-ETHYLANILINE589-16-2Benzenamine, 4-ethyl-Aniline, 4-ethyl-4-ethylbenzenamineMHX72W1ZQVDTXSID0022066NSC-62015RefChem:522843DTXCID402066209-637-0p-Ethylaniline

Weitere Namen anzeigen

4-ethyl-anilinaniline,4-ethyl-To ethyl anilinepara-EthylanilineAKOS BBS-00003560

4-Ethylphenylamine1-Amino-4-ethylbenzeneAniline, p-ethyl-p-Ethylaminobenzene4-Aminoethylbenzene4-ethyl anilineMFCD00007921NSC 62015

Datenbank-Bezeichner

CAS: 589-16-2
PubChem CID: 11504
DTXSID: DTXSID0022066
UNII: MHX72W1ZQV
EC Number: 209-637-0
Nikkaji: J44.132E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 72,6

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point

Physikochemische Eigenschaften

Schmelzpunkt: -5 °C · -5 °C (lit.)
Siedepunkt: 216 °C · 216 °C (lit.)
Dichte: 0.975 g/mL · 0.975 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.554(lit.)
Flammpunkt: 185 °F · 185 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: Liquid
pka: 1 · pK1:5.00(+1) (25°C)
Farbe: Clear yellow to red-brown
Wasserlöslichkeit: immiscible
BRN: 774319 · 774319
Henry's Law Constant: 3.1 · 3.1×100 mol/(m3Pa) at 25℃, Mackay et al. (2006)
InChI: 1S/C8H11N/c1-2-7-3-5-8(9)6-4-7/h3-6H,2,9H2,1H3
InChIKey: HRXZRAXKKNUKRF-UHFFFAOYSA-N
SMILES: CCc1ccc(N)cc1
CAS Datenbank: 589 · 589-16-2(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-Ethylaniline(589-16-2)
EPA chemische Informationen: p-Ethylaniline (589-16-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301+H311+H331 (38.2%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 76 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Benzenamine, 4-ethyl-

Benzenamine, 4-ethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (97.4%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: 1602
hs_code: 29214980
RTECS-Nr.: BX9900000
risk_code: 23/24/25-33
hazard_code: T
safety_code: 36/37/39-45-36/37-28A
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralSTOT RE 2