Grundinformationen
- Standard-SMILES
CC(C)c1cccc(C(C)C)c1N- InChIKey
WKBALTUBRZPIPZ-UHFFFAOYSA-N- Summenformel
- C12H19N
- Durchschnittliche Molmasse
- 177,29 g/mol
- Monoisotopische Masse
- 177,15174961
Namen und Bezeichner
- Bevorzugter Name
- Diisopropylaniline
- IUPAC
- 2,6-di(propan-2-yl)aniline
- Lokaler Name
- 2,6-Diisopropylanilin
- Englischer Name
- 2,6-Diisopropylaniline
- Summenformel
- C12H19N
- Molmasse
- 177.29
Namen und Synonyme
2,6-DIISOPROPYLANILINE24544-04-5Benzenamine, 2,6-bis(1-methylethyl)-diisopropylaniline2,6-DiisopropylphenylamineAniline, 2,6-diisopropyl-2,6-Diisopropyl aniline2,6-DilsopropylanilineDTXSID5022279BRN 2208763EINECS 246-305-4190BG0089I
Weitere Namen anzeigen
DIPA2,6-DiisopropylbenzenamineAmitraz E.C.2,6-Di(propan-2-yl)aniline2,6-bis(1-methylethyl)-benzenamin2,6-Di-i-propylaniline2,6-diisopropyl-anilin
DTXCID302279EC 246-305-43-12-00-02764 (Beilstein Handbook Reference)2,6diisopropyl aniline2,6DiisopropylphenylamineAniline, 2,6diisopropylRefChem:587932Benzenamine, 2,6bis(1methylethyl)
Datenbank-Bezeichner
- CAS
24544-04-5- PubChem CID
- 32484
- DTXSID
DTXSID5022279- ChEMBL
CHEMBL3183764- UNII
- 190BG0089I
- EC Number
- 246-305-4
- Nikkaji
- J33.769B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 135
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Amines, Aromatic
LogP3.18
Density0.94 @25 °C
Boiling Point257 °C @760 [mm Hg]
Melting Point-45 °C
Vapor Pressure0.00479 [mmHg]
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical DescriptionLiquid; [Sigma-Aldrich MSDS]
Collision Cross Section146.6 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID5022279]
Physikochemische Eigenschaften
- Schmelzpunkt
- -45 °C · -45 °C (lit.)
- Siedepunkt
- 257 °C · 257 °C (lit.)
- Dichte
- 0.94 g/mL · 0.94 g/mL at 25 °C (lit.)
- Dampfdruck
- 0.01 mm · <0.01 mm Hg ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.532(lit.)
- Flammpunkt
- 255 °F · 255 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- 0.2 g/l · <0.2g/l
- Aggregatzustand
- Liquid
- pka
- 4.25 · 4.25±0.10(Predicted)
- Farbe
- Clear
- Wasserlöslichkeit
- 0.2 g/L · <0.20 g/L
- BRN
- 2208763 · 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
- 3.18 at · 3.18 at 20℃
- CAS Datenbank
- 24544 · 24544-04-5(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Benzenamine, 2,6-bis(1-methylethyl)-(24544-04-5)
- EPA chemische Informationen
- 2 · 2,6-Diisopropylaniline (24544-04-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 3.4% (2 of 58) of reports.
Warning
H319 (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.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenamine, 2,6-bis(1-methylethyl)-
Status: Active Update: 09-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10001
Hazards SummaryCauses other liver changes and changes in bone marrow and spleen in oral lethal-dose studies of rats; [RTECS] May cause irritation; May induce methemoglobinemia; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesEye Irrit. 2 (13.8%)
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
9.6 [mg/m3]
110 [mg/m3]
630 [mg/m3]
Toxikologische Informationen
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29214980
- RTECS-Nr.
- BX4025000
- risk_code
- 52/53-36/37/38
- hazard_code
- Xi
- safety_code
- 61-37/39-26
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Aquatic Chronic 3Eye Irrit. 2
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzenamine, 2,6-bis(1-methylethyl)-: ACTIVE
Anwendungen
Verwenden2,6-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).
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