HRID 1316320als KatalysatorHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
4,4'-Di-tert-butyl-2,2'-bipyridyl
Grundinformationen
- CAS
72914-19-3- Standard-SMILES
CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1- InChIKey
TXNLQUKVUJITMX-UHFFFAOYSA-N- Summenformel
- C18H24N2
- Durchschnittliche Molmasse
- 268,4 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 4,4'-Di-tert-butyl-2,2'-bipyridyl
- IUPAC
- 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine
- Englischer Name
- 4,4'-Di-tert-butyl-2,2'-bipyridine
- Summenformel
- C18H24N2
- Molmasse
- 268.4
Namen und Synonyme
72914-19-34,4'-Di-tert-butyl-2,2'-bipyridylRefChem:506593629-463-24,4'-Di-tert-butyl-2,2'-bipyridine4,4'-Di-tert-butyl-2,2'-dipyridyl4-tert-Butyl-2-(4-tert-butyl-2-pyridyl)pyridine4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridineBBBPYMFCD018637312,2'-Bipyridine, 4,4'-bis(1,1-dimethylethyl)-4,4'-Bis(tert-butyl)-2,2'-bipyridine
Weitere Namen anzeigen
dbbpytBu2bpy4,4'-Di-tert-butyl-2,2'-dipyidyl4,4'-Di-tert-butyl-2,2'-dipyridine
4,4'-di-tertbutyl-2,2'-bipyridine4,4'-Di-tert-butyl-[2,2']bipyridinylSY0122414,4'-BIS(T-BUTYL)-2,2'-BIPYRIDINEdtbbpyYSSJ1560DTBPY4,4'-DI-TERT-BUTYL BIPYRIDINE
Datenbank-Bezeichner
- CAS
72914-19-3- PubChem CID
- 4249187
- ChEMBL
CHEMBL100948- UNII
- 5FK8THW98Z
- EC Number
- 629-463-2
- Nikkaji
- J534.400J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,8
- Polarare Oberfläche (TPSA)
- 25,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 278
Physikochemische Eigenschaften
- Schmelzpunkt
- 159 · 159-161 °C(lit.)
- Siedepunkt
- 395.4 · 395.4±42.0 °C(Predicted)
- Dichte
- 0.977 · 0.977
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- pka
- 5.15 · 5.15±0.30(Predicted)
- Aggregatzustand
- crystal
- Farbe
- white
- Stabilität
- hygroscopic
- InChI
- InChI=1S/C18H24N2/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6/h7-12H,1-6H3
- InChIKey
- TXNLQUKVUJITMX-UHFFFAOYSA-N
- SMILES
- C1(C2=NC=CC(C(C)(C)C)=C2)=NC=CC(C(C)(C)C)=C1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (95.7%): 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 46 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (95.7%)
Sicherheitsdaten
- wgk
- 3
- tsca
- No
- hs_code
- 29333990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 Oral
Chemie und Industrie
Anwendungen
Verwenden4,4'-Di-tert-butyl-2,2'-dipyridyl acts as a reagent in the preparation, antiproliferative and cytotoxic activity of apoptotic ruthenium nitrogen heterocyclic complexes via combinatorial library synthesis.
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