2,6-Di-tert-butylpyridin

2,6-Di-tert-butylpyridine

HCID 68510CAS 585-48-8

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Grundinformationen

Standard-SMILES: CC(C)(C)c1cccc(C(C)(C)C)n1
InChIKey: UWKQJZCTQGMHKD-UHFFFAOYSA-N
Summenformel: C13H21N
Durchschnittliche Molmasse: 191,31 g/mol
Monoisotopische Masse: 191,16739967

Überblick

2,6-di-tert-butylpyridine is a member of pyridines.

Namen und Bezeichner

Bevorzugter Name: 2,6-Di-tert-butylpyridine
IUPAC: 2,6-ditert-butylpyridine
Lokaler Name: 2,6-Di-tert-butylpyridin
Englischer Name: 2,6-Di-tert-butylpyridine
Summenformel: C13H21N
Molmasse: 191.31

Namen und Synonyme

2,6-Di-tert-butylpyridine585-48-8Pyridine, 2,6-bis(1,1-dimethylethyl)-OI9LF0H4MMEINECS 209-557-6NSC-1758052,6-Bis(1,1-dimethylethyl)pyridineDTXSID80207217NSC 1758052,6-DI-TERT-BUTYLPYRIDINE [MI]RefChem:445275DTXCID80129708

Weitere Namen anzeigen

2,6-Bis(tert-butyl)pyridinePyridine, 2,6-di-tert-butyl-2,6-Di-tert-butylpyridine>2,6-DI-TERT-BUTYLPYRIDINE 97%2,6-Di-tert-butylpyridine ,96%2,6-DI-TERT-BUTYLPYRIDINE, >=97%

2,6Bis(1,1dimethylethyl)pyridine209-557-62,6-ditert-butylpyridine2,6-Di(tert-butyl)pyridine2,6-di-t-ButylpyridineMFCD000063062,6-DI-T-BUTYL PYRIDINENSC175805

Datenbank-Bezeichner

CAS: 585-48-8
PubChem CID: 68510
DTXSID: DTXSID80207217
ChEBI: CHEBI:183988
UNII: OI9LF0H4MM
EC Number: 209-557-6
Nikkaji: J1.637C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,1
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 162

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Pyridines

SpringerMaterials PropertiesBoiling point

LogP4.14

Vapor Pressure0.03 [mmHg]

Physical DescriptionLiquid; [Merck Index] Clear, dark brown liquid; [Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 2 °C · 2°C(lit.)
Siedepunkt: 100 · 100-101 °C/23 mmHg (lit.)
Dichte: 0.852 g/mL · 0.852 g/mL at 25 °C (lit.)
Brechungsindex: 1.472 · 1.472-1.474
Flammpunkt: 72 °C · 72 °C
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Liquid
pka: 3.58 · 3.58(at 25℃)
Wichte: 0.852 · 0.852
Farbe: Clear yellow
Wasserlöslichkeit: Miscible with alcohol, acetone, and hexane. Immiscible with water.
Merck: 14 · 14,3036
BRN: 125886 · 125886
Henry's Law Constant: 8 · 8.0×10-4 mol/(m3Pa) at 25℃, Arnett and Chawla (1979)
Dielectric constant: 3.39 · 3.3900000000000001
Stabilität: Stable. Combustible. Incompatible with strong acids, strong oxidizing agents.
InChIKey: UWKQJZCTQGMHKD-UHFFFAOYSA-N
CAS Datenbank: 585 · 585-48-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Pyridine, 2,6-bis(1,1-dimethylethyl)-

Pyridine, 2,6-bis(1,1-dimethylethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Aldrich MSDS] See Pyridine.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
ridadr: 3267
hs_code: 29339900
risk_code: 36/37/38-22
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 37/39-26-36/37/39-36

Chemie und Industrie

Verwendung und Herstellung

UsesProposed for use as an additive (lubricating oil and gasoline) and stabilizer (chlorine-containing polymers); [Merck Index]

Anwendungen · 1 Eintrag

Verwenden2,6-Di-tert-butylpyridine is used in the preparation of 2, 6-di-tert-butylpyridine hydrotriflate. It is used as a proton scavenger to check the progress of the living polymerization of isobutylene. It is associated with cerric ammonium nitrate and used in the alfa-enolation of aldehydes. It is involved in the preparation of vinyl triflate using polymer-bound 2,6-di-tert-butylpyridine.