4-Bromo-2,6-diethylaniline

HCID 611452CAS 56746-19-1

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Grundinformationen

Standard-SMILES: CCc1cc(Br)cc(CC)c1N
InChIKey: BEJYDMQQZUACPW-UHFFFAOYSA-N
Summenformel: C10H14BrN
Durchschnittliche Molmasse: 228,13 g/mol
Monoisotopische Masse: 227,03096155

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-2,6-diethylaniline
IUPAC: 4-bromo-2,6-diethylaniline
Englischer Name: 4-Bromo-2,6-diethylaniline
Summenformel: C10H14BrN
Molmasse: 228.13

Namen und Synonyme

4-Bromo-2,6-diethylaniline56746-19-1DTXSID40346353BEJYDMQQZUACPW-UHFFFAOYSA-RefChem:98036DTXCID30297426675-682-1BEJYDMQQZUACPW-UHFFFAOYSA-NInChI=1/C10H14BrN/c1-3-7-5-9(11)6-8(4-2)10(7)12/h5-6H,3-4,12H2,1-2H32,6-Diethyl-4-bromoanilineMFCD00059266(4-bromo-2,6-diethylphenyl)amine

Weitere Namen anzeigen

Bromodiethylanilinebromodiethylbenzeneamine4-Bromo-2,6-diethylaniline >BENZENAMINE,4-BROMO-2,6-DIETHYL4-Bromo-2,6-diethylaniline,>98%4-BroMo-2,6-diethylaniline,2,6-Diethyl-4-broMoaniline

4-Bromo-2,6-diethylaniline; >98%AKOS005172657CS-0453645AM62034SCHEMBL6370104-bromo-2,6-diethyl-anilineSCHEMBL63787324-bromo-2,6-diethyl-phenylamine

Datenbank-Bezeichner

CAS: 56746-19-1
PubChem CID: 611452
DTXSID: DTXSID40346353
EC Number: 675-682-1
Nikkaji: J208.136I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 124

Physikochemische Eigenschaften

Siedepunkt: 134 °C · 134 °C / 3mmHg
Dichte: 1.33 · 1.33
Brechungsindex: 1.583 · 1.5830-1.5850
storage temp.: Refrigerator, under inert atmosphere
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Oil
pka: 3.43 · 3.43±0.10(Predicted)
Farbe: Very Dark Red to Very Dark Brown
InChI: 1S/C10H14BrN/c1-3-7-5-9(11)6-8(4-2)10(7)12/h5-6H,3-4,12H2,1-2H3
InChIKey: BEJYDMQQZUACPW-UHFFFAOYSA-N
CAS Datenbank: 56746 · 56746-19-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2921.42.9000
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1