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HCID 520574Erstellt: 26. Oktober 2026

2-Propionylpyridine

1-Propanone, 1-(2-pyridinyl)- · 1-(2-Pyridinyl)-1-propanone · 1-(PYRIDIN-2-YL)PROPAN-1-ONE · 2-Propanoylpyridine · 2-PROPIONYLPYRIDINE · 2-PYRIDYL ETHYL KETONE · 1-(2-pyridyl)propan-1-one · 1-(2-Pyridyl)-1-propanone

https://huagongshe.com/de/chemical/520574

Molekülstruktur von 2-Propionylpyridine

Identifikatoren & physikalische Daten

CAS No.3238-55-9
SummenformelC8H9NO
Durchschnittliche Molmasse135,16 g/mol
Monoisotopische Masse135,06841391 g/mol
SMILESCCC(=O)c1ccccn1
InChIKeyZHAZHKPVEROFLH-UHFFFAOYSA-N
PubChem CID520574
EC No.877-127-0
DTXSIDDTXSID00334397

Chemische & physikalische Eigenschaften

XLogP1,3
Polarare Oberfläche (TPSA)30
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen2
Schwere Atome10
Formalladung0
Komplexität122
Kovats Retention Index11651102111411371676
Schmelzpunkt206-207 °C
Siedepunkt95-100 °C(Press: 15 Torr)
Dichte1.034±0.06 g/cm3(Predicted)
LagerbedingungenInert atmosphere,Room Temperature
Aggregatzustandliquid
pKa (Säurekonstante)3.02±0.10(Predicted)
FarbePale yellow
InChI1S/C8H9NO/c1-2-8(10)7-5-3-4-6-9-7/h3-6H,2H2,1H3
InChIKeyZHAZHKPVEROFLH-UHFFFAOYSA-N
SMILESCCC(=O)c1ccccn1
NIST chemische Informationen1-Propanone, 1-(2-pyridinyl)-(3238-55-9)

Sicherheit & Vorschriften

GHS-EinstufungDangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 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.
Hazard Classes and CategoriesAcute Tox. 4 (100%)Skin Irrit. 2 (66.7%)Eye Dam. 1 (33.3%)Eye Irrit. 2 (66.7%)STOT SE 3 (66.7%)
Wassergefährdungsklasse (WGK)WGK 3
Zollcode2933399990
R-Sätze (R)22-36
GefahrensymboleXn
Sicherheitshinweise (S)26
GefahrenklasseIRRITANTAcute Tox. 4 OralEye Irrit. 2
Lagerklasse11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

2-Propionylpyridine is used in preparation of Oxodiphenyldihydropyrazolecarboxamide derivatives and analogs for use as ACSS2 inhibitors.