Bis(2-pyridyl)keton

Bis(2-pyridyl) ketone

HCID 88065CAS 19437-26-4

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Grundinformationen

Standard-SMILES: O=C(c1ccccn1)c1ccccn1
InChIKey: QPOWUYJWCJRLEE-UHFFFAOYSA-N
Summenformel: C11H8N2O
Durchschnittliche Molmasse: 184,19 g/mol
Monoisotopische Masse: 184,06366288

Namen und Bezeichner

Bevorzugter Name: Bis(2-pyridyl) ketone
IUPAC: dipyridin-2-ylmethanone
Lokaler Name: Bis(2-pyridyl)keton
Englischer Name: DI-2-PYRIDYL KETONE
Summenformel: C11H8N2O
Molmasse: 184.19

Namen und Synonyme

19437-26-4Bis(2-pyridyl) ketoneMethanone, di-2-pyridinyl-2-Pyridyl ketoneEINECS 243-067-3AI3-52639DTXSID20173068NSC 174057RefChem:568810DTXCID9095559243-067-3InChI=1/C11H8N2O/c14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10/h1-8

Weitere Namen anzeigen

Di(pyridin-2-yl) ketoneDipyridylketoneDi(2-pyridyl)keKetone, di-2-pyridylDi-2-Pyridyldiketone2,2'-dipyridyl ketoneDi(2-pyridinyl) ketone

di-2-Pyridyl ketoneDi(pyridin-2-yl)methanonedipyridin-2-ylmethanoneDi(2-pyridyl)ketonebis(2-pyridyl)methanone2,2'-CarbonyldipyridineMFCD00006288Di-2-pyridinylmethanone

Datenbank-Bezeichner

CAS: 19437-26-4
PubChem CID: 88065
DTXSID: DTXSID20173068
EC Number: 243-067-3
Nikkaji: J149.899A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 42,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 185

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Schmelzpunkt: 52 · 52-55 °C (lit.)
Siedepunkt: 115 · 115-125 °C(Press: 0.1 Torr)
Dichte: 1.196 · 1.196±0.06 g/cm3(Predicted)
Flammpunkt: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
pka: 2.3 · 2.30±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Clear colorless to yellow
Wasserlöslichkeit: Low solubility in water.
BRN: 126598 · 126598
InChI: InChI=1S/C11H8N2O/c14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10/h1-8H
InChIKey: QPOWUYJWCJRLEE-UHFFFAOYSA-N
SMILES: C(C1=NC=CC=C1)(C1=NC=CC=C1)=O
CAS Datenbank: 19437 · 19437-26-4(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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 10
wgk: 3
hs_code: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwendendi-2-Pyridyl ketone has been used in the preparation of unusual {Ni(II)(3)Ln(III)(-OR)(6)}(3+) complexes with a "star" topology. Its monoanionic form has been used in the synthesis of triangular Ni(2)M (M = lanthanide, Y) complexes. The Schiff base ligands derived from di-2-pyridyl ketone exhibit ant proliferative activity in SK-N-MC neuroepithelioma (cancer) cells.