1,5-Bis(2-pyridyl)-1,3,5-pentanetrione

HCID 11369181

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Grundinformationen

CAS: 128143-87-3
Standard-SMILES: O=C(CC(=O)c1ccccn1)CC(=O)c1ccccn1
InChIKey: UXCBOWMRKBJEGR-UHFFFAOYSA-N
Summenformel: C15H12N2O3
Durchschnittliche Molmasse: 268,27 g/mol
Monoisotopische Masse: 268,08479225

Namen und Bezeichner

Bevorzugter Name: 1,5-Bis(2-pyridyl)-1,3,5-pentanetrione
IUPAC: 1,5-dipyridin-2-ylpentane-1,3,5-trione
Englischer Name: 1,5-bis(pyridin-2-yl)pentane-1,3,5-trione
Summenformel: C15H12N2O3
Molmasse: 268.27

Namen und Synonyme

128143-87-3RefChem:4171421,5-Bis(2-pyridyl)-1,3,5-pentanetrione631-384-31,3,5-Pentanetrione, 1,5-di-2-pyridinyl-1,5-Di(pyridin-2-yl)pentane-1,3,5-trioneSCHEMBL2544523SCHEMBL33721999UXCBOWMRKBJEGR-UHFFFAOYSA-N1,5-di-pyrid-2-yl-pentane-1,3,5trione1,5-di(2-pyridyl)pentan-1,3,5-tri-one1,5-di-pyrid-2-yl-pentane-1,3,5-trione

Weitere Namen anzeigen

1,5-bis(2'-pyridyL)pentane-1,3,5-trione1,5-bis(2'-pyridyl)pentane-1,3,5-trione1,5-di(pyridine-2-yl)pentane-1,3,5-trione1,5-bis(pyridin-2-yl)pentane-1,3,5-trione

1,5-di-pyridin-2-yl-pentane-1,3,5-trione

Datenbank-Bezeichner

CAS: 128143-87-3
PubChem CID: 11369181
EC Number: 631-384-3
Nikkaji: J2.627.824D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 77 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 6
Schwere Atome: 20
Formalladung: 0
Komplexität: 347

Physikochemische Eigenschaften

Schmelzpunkt: 103 · 103-105 °C
Siedepunkt: 442.1 · 442.1±30.0 °C(Predicted)
Dichte: 1.256 · 1.256±0.06 g/cm3(Predicted)
pka: 7.07 · 7.07±0.46(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.