6-Phenyl-2-pyridon

6-Phenyl-2-pyridone

HCID 87889CAS 19006-82-7

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Grundinformationen

Standard-SMILES: O=c1cccc(-c2ccccc2)[nH]1
InChIKey: ZLUIDXRFWSPPCC-UHFFFAOYSA-N
Summenformel: C11H9NO
Durchschnittliche Molmasse: 171,199 g/mol
Monoisotopische Masse: 171,06841391

Namen und Bezeichner

Bevorzugter Name: 6-Phenyl-2-pyridone
IUPAC: 6-Phenylpyridin-2(1H)-one
Lokaler Name: 6-Phenyl-2-pyridon
Englischer Name: 6-PHENYL-2-PYRIDONE
Summenformel: C11H9NO
Molmasse: 171.2

Namen und Synonyme

PhenylpyridoneEinecs 242-740-96-PHENYL-2-PYRIDONE6-phenylpyridin-2-ol6-Phenylpyridin-2(1H)6-Phenylpyridine-2-ol6-Phenyl-2-pyridone>6-phenyl-2-pyridone95+%6-Phenyl-2(1H)-pyridone6-Phenylpyridin-2(1H)-one

Datenbank-Bezeichner

CAS: 19006-82-7
PubChem CID: 87889
DTXSID: DTXSID40172472
ChEMBL: CHEMBL1730128
UNII: 5H7X2M5BA4
EC Number: 242-740-9
Nikkaji: J102.358F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 259

Physikochemische Eigenschaften

Schmelzpunkt: 197 °C · 197 °C
Siedepunkt: 417.1 · 417.1±38.0 °C(Predicted)
Dichte: 1.158 · 1.158±0.06 g/cm3(Predicted)
storage temp.: 2 · Sealed in dry,2-8°C
pka: 10.82 · 10.82±0.10(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Orange to Green
InChI: 1S/C11H9NO/c13-11-8-4-7-10(12-11)9-5-2-1-3-6-9/h1-8H,(H,12,13)
InChIKey: ZLUIDXRFWSPPCC-UHFFFAOYSA-N
SMILES: O=C1NC(=CC=C1)c2ccccc2
CAS Datenbank: 19006 · 19006-82-7

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)；Eye Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2933399990
risk_code: 22-36
hazard_code: Xn
safety_code: 26
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2

Chemie und Industrie

Anwendungen

Verwenden6-Phenylpyridin-2(1H)-one is used as a reactant in the preparation of phenylaminopyrimidinones and its derivatives as orally active nonpeptidic inhibitors of human neutrophil elastase.