4-Tert-Butylaniline (HCID 69861)

Namen und Bezeichner

Bevorzugter Name: 4-Tert-Butylaniline
IUPAC: 4-tert-butylaniline
Lokaler Name: p-tert-Butylanilin
Englischer Name: 4-tert-Butylaniline
Summenformel: C10H15N
Molmasse: 149.23

Namen und Synonyme

4-tert-Butylanilinep-tert-Butylanilinep-t-Butylaniline4-t-Butylbenzeneamine4-tert-Butylbenzeneamine4-tert-ButylbenzenamineAniline, p-tert-butyl-DTXSID0048181Aniline, 4-tert-butyl-4-(1,1-dimethylethyl)benzenamineUNII-47H9440ZOW4-(t-Butyl)aniline

Weitere Namen anzeigen

ZR DX1&1&1Compound Fr14181BUTTPARK 44\03-77p-tert-ButylanilinTIMTEC-BB SBB0077384-t-Butylaniline 99%

DTXCID602815547H9440ZOWEINECS 212-215-94-Amino-tert-butylbenzeneWRDWWAVNELMWAM-UHFFFAOYSA-RefChem:100509212-215-9InChI=1/C10H15N/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,11H2,1-3H3

Datenbank-Bezeichner

CAS: 769-92-6
PubChem CID: 69861
DTXSID: DTXSID0048181
ChEMBL: CHEMBL1800270
UNII: 47H9440ZOW
EC Number: 212-215-9
Nikkaji: J193.149K

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: 115

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 2 Einträge

1270.4

2011

Collision Cross Section147.6 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0048181]；147.3 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID0048181]

Physikochemische Eigenschaften

Schmelzpunkt: 15 · 15-16 °C (lit.)
Siedepunkt: 90 · 90-93 °C/3 mmHg (lit.)
Dichte: 0.937 g/mL · 0.937 g/mL at 25 °C (lit.)
Dampfdruck: 5.34 · 5.34-5.77Pa at 25℃
Brechungsindex: 20 · n20/D 1.538(lit.)
Flammpunkt: 215 °F · 215 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Liquid
pka: 1 · pK1: 3.78(+1) (25°C)
Wichte: 0.937 · 0.937
Farbe: Clear orange-red to brownish
Wasserlöslichkeit: Insoluble in water.
BRN: 2205786 · 2205786
InChI: 1S/C10H15N/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,11H2,1-3H3
InChIKey: WRDWWAVNELMWAM-UHFFFAOYSA-N
SMILES: CC(C)(C)c1ccc(N)cc1
LogP: 2.7 · 2.7-2.99
CAS Datenbank: 769 · 769-92-6(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-Tert-butylbenzeneamine(769-92-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (62.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (11.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (87.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (89.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (46.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (86.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 103 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Benzenamine, 4-(1,1-dimethylethyl)-

Status: Active Update: 27-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23433

Hazard Classes and CategoriesAcute Tox. 4 (62.1%)；Skin Corr. 1B (11.7%)；Skin Irrit. 2 (87.4%)；Eye Irrit. 2 (89.3%)；Acute Tox. 4 (46.6%)；STOT SE 3 (86.4%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: Benzenamine, 4-(1,1-dimethylethyl)-

Status: Active Update: 27-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23433

Sicherheitsdaten

wgk: 2
hs_code: 29214980
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-tert-Butylaniline reacts with formic acid to produce formic acid-(4-tert-butyl-anilide). This reaction could happen in the presence of the solvent of toluene in the condition of heating. 4-tert-Butylaniline is used in the synthesis of 4-tert-Butyl-4,4-dinitrotriphenylamine, new triphenylamine-containing diamine monomer and 2-oxopyrimido[4,5-d]pyrimidin-5(6H)-one.