2,6-Diisopropylanilin

DIPA · 2,6-Diisopropylbenzenamine · 2,6-diisopropylphenylamine · Benzenamine, 2,6-bis(1-methylethyl)- · Amitraz E.C. · Aniline, 2,6-diisopropyl- · 2,6-Di(propan-2-yl)aniline · 2,6-bis(1-methylethyl)-benzenamin

https://huagongshe.com/de/chemical/32484

Molekülstruktur von 2,6-Diisopropylanilin

Identifikatoren & physikalische Daten

CAS No.	24544-04-5
Summenformel	C12H19N
Durchschnittliche Molmasse	177,29 g/mol
Monoisotopische Masse	177,15174961 g/mol
SMILES	CC(C)c1cccc(C(C)C)c1N
InChIKey	WKBALTUBRZPIPZ-UHFFFAOYSA-N
PubChem CID	32484
ChEMBL	CHEMBL3183764
EC No.	246-305-4
DTXSID	DTXSID5022279
Lokaler Name	2,6-Diisopropylanilin

Chemische & physikalische Eigenschaften

XLogP	3,2
Polarare Oberfläche (TPSA)	26
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	2
Schwere Atome	13
Formalladung	0
Komplexität	135
Stoffklassen	Nitrogen Compounds -> Amines, Aromatic
LogP (Verteilungskoeffizient)	3.18
Dichte	0.94 @25 °C0.94 g/mL at 25 °C (lit.)
Siedepunkt	257 °C @760 [mm Hg]257 °C (lit.)
Schmelzpunkt	-45 °C-45 °C (lit.)
Dampfdruck	0.00479 [mmHg]<0.01 mm Hg ( 20 °C)
Food Contact Substances	FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical Description	Liquid[Sigma-Aldrich MSDS]
Collision Cross Section	146.6 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID5022279]
Brechungsindex	n20/D 1.532(lit.)
Flammpunkt	255 °F
Lagerbedingungen	Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit	<0.2g/l<0.20 g/L
Aggregatzustand	Liquid
pKa (Säurekonstante)	4.25±0.10(Predicted)
Farbe	Clear
BRN	2208763
InChI	1S/C12H19N/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,13H2,1-4H3
InChIKey	WKBALTUBRZPIPZ-UHFFFAOYSA-N
SMILES	CC(C)c1cccc(C(C)C)c1N
LogP (Verteilungskoeffizient)	3.18 at 20℃
CAS Datenbank	24544-04-5(CAS DataBase Reference)
NIST chemische Informationen	Benzenamine, 2,6-bis(1-methylethyl)-(24544-04-5)
EPA chemische Informationen	2,6-Diisopropylaniline (24544-04-5)

Sicherheit & Vorschriften

Gefahrenklasse
GHS-Einstufung	This chemical does not meet GHS hazard criteria for 3.4% (2 of 58) of reports.WarningH319 (13.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 58 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: Benzenamine, 2,6-bis(1-methylethyl)-Status: Active Update: 09-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10001
Gefahrenübersicht	Causes other liver changes and changes in bone marrow and spleen in oral lethal-dose studies of rats[RTECS] May cause irritationMay induce methemoglobinemia[Sigma-Aldrich MSDS]
Hazard Classes and Categories	Eye Irrit. 2 (13.8%)
Protective Action Criteria (PAC)	9.6 [mg/m3]110 [mg/m3]630 [mg/m3]
Unerwünschte Wirkungen	Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect
Wassergefährdungsklasse (WGK)	2
TSCA-Inventar-Status	TSCA listed
Zollcode	29214980
RTECS-Nr.	BX4025000
R-Sätze (R)	52/53-36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	61-37/39-26
Lagerklasse	10 - Combustible liquids

Anwendungen & Verwendung

Verwenden

2,6-Diisopropylaniline is used as intermediate for the manufacture of carbodiimides stabilizers, RIM-PUR, synthetic resins, pesticides, antioxidants, pharmaceuticals and other products. 2,6-Diisopropylaniline may be used in the preparation of multitopic Schiff-base ligand precursors.It may be used in the preparation of NSN-donor proligand, 4,5-bis(2,6-diisopropylanilino)-2,7-di-tert-butyl-9,9-dimethylthioxanthene. It may be used to prepare N-heterocyclic carbene complexes for α-arylation of acyclic ketones, amination of haloarenes, and aqueous Suzuki coupling. 2,6-Diisopropylaniline may be used in the preparation of organocatalyst based on naphthalene diimides (NDIs).