2-Propionylpyridine

HCID 520574CAS 3238-55-9

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Grundinformationen

Standard-SMILES: CCC(=O)c1ccccn1
InChIKey: ZHAZHKPVEROFLH-UHFFFAOYSA-N
Summenformel: C8H9NO
Durchschnittliche Molmasse: 135,16 g/mol
Monoisotopische Masse: 135,06841391

Namen und Bezeichner

Bevorzugter Name: 2-Propionylpyridine
IUPAC: 1-pyridin-2-ylpropan-1-one
Englischer Name: 2-Propionylpyridine
Summenformel: C8H9NO
Molmasse: 135.16

Namen und Synonyme

2-Propionylpyridine3238-55-91-Propanone, 1-(2-pyridinyl)-2-Pyridyl ethyl ketone1-Propanone, 1-(2-pyridyl)-DTXSID00334397RefChem:89303DTXCID10285487ZHAZHKPVEROFLH-UHFFFAOYSA-N1-(pyridin-2-yl)propan-1-one1-pyridin-2-ylpropan-1-one1-(2-Pyridinyl)-1-propanone

Weitere Namen anzeigen

2-Propanoylpyridine1-(2-Pyridyl)-1-propanone2-Propionylpyridine (Standard)

MFCD00023486methylacetylpyridine2-propionyl pyridineethyl-2-pyridylketone1-(2-pyridyl)propan-1-oneSCHEMBL1564961-pyridin-2-yl-propan-1-oneorb3023254

Datenbank-Bezeichner

CAS: 3238-55-9
PubChem CID: 520574
DTXSID: DTXSID00334397
EC Number: 877-127-0
Nikkaji: J113.917G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 30 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 122

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 3 Einträge

1165；1102；1114

1137

1676

Physikochemische Eigenschaften

Schmelzpunkt: 206 · 206-207 °C
Siedepunkt: 95 · 95-100 °C(Press: 15 Torr)
Dichte: 1.034 · 1.034±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: liquid
pka: 3.02 · 3.02±0.10(Predicted)
Farbe: Pale yellow
InChI: 1S/C8H9NO/c1-2-8(10)7-5-3-4-6-9-7/h3-6H,2H2,1H3
InChIKey: ZHAZHKPVEROFLH-UHFFFAOYSA-N
SMILES: CCC(=O)c1ccccn1
NIST chemische Informationen: 1 · 1-Propanone, 1-(2-pyridinyl)-(3238-55-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (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 exposure; Respiratory 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.