3-tert-Butylanilin

3-tert-Butylaniline

HCID 79334CAS 5369-19-7

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Grundinformationen

Standard-SMILES: CC(C)(C)c1cccc(N)c1
InChIKey: DPKTVUKEPNBABS-UHFFFAOYSA-N
Summenformel: C10H15N
Durchschnittliche Molmasse: 149,23 g/mol
Monoisotopische Masse: 149,12044948

Namen und Bezeichner

Bevorzugter Name: 3-tert-Butylaniline
IUPAC: 3-tert-butylaniline
Lokaler Name: 3-tert-Butylanilin
Englischer Name: 3-(Tert-butyl)aniline
Summenformel: C10H15N
Molmasse: 149.23

Namen und Synonyme

3-tert-Butylaniline5369-19-7EINECS 226-361-6DTXSID30201942RefChem:505393DTXCID60124433226-361-63-(tert-Butyl)anilineMFCD001250783-tert-butyl-phenylaminem-t-butylanilinem-tert-butylaniline

Weitere Namen anzeigen

BUTTPARK 43\57-253-(T-BUTYL)ANILINEAniline, m-tert-butyl-3-tert-Butylaniline >3-tert-Butylaniline 98%3-tert-Butylaniline, 97%

3-tert.butyl-aniline3-(tert-butyl)phenylamineAKOS005256308AS-56713-tert-butylbenzenamine3-tert-butylphenylamineBenzenamine, 3-(1,1-dimethylethyl)-3-(tert-butyl)-aniline

Datenbank-Bezeichner

CAS: 5369-19-7
PubChem CID: 79334
DTXSID: DTXSID30201942
EC Number: 226-361-6
Nikkaji: J217.931H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 123

Physikochemische Eigenschaften

Siedepunkt: 140 °C · 140 °C
Dichte: 0.942 · 0.942±0.06 g/cm3(Predicted)
Brechungsindex: 1.539 · 1.5390-1.5430
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: clear liquid
pka: 4.69 · 4.69±0.10(Predicted)
Farbe: Light orange to Yellow to Green
InChI: 1S/C10H15N/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,11H2,1-3H3
InChIKey: DPKTVUKEPNBABS-UHFFFAOYSA-N
SMILES: CC(C)(C)c1cccc(N)c1
CAS Datenbank: 5369 · 5369-19-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H312+H332 (18.2%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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 11 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (90.9%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2921490090
risk_code: 20/21/22-36/37/38-22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-(Tert-butyl)aniline is an important pharmaceutical and pesticide intermediate. The meta-tert-butylphenol obtained by acidification and other steps can be used as a synthetic raw material for the fungicide etoxazole and the antioxidant anoxazole.