6-Phenyl-2-pyridone

HCID 87889CAS 19006-82-7

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Basic information

Standard SMILES: O=c1cccc(-c2ccccc2)[nH]1
InChIKey: ZLUIDXRFWSPPCC-UHFFFAOYSA-N
Molecular formula: C11H9NO
Average molar mass: 171.199 g/mol
Monoisotopic mass: 171.06841391

Names & identifiers

Preferred name: 6-Phenyl-2-pyridone
IUPAC: 6-Phenylpyridin-2(1H)-one
English name: 6-PHENYL-2-PYRIDONE
Molecular formula: C11H9NO
Molecular weight: 171.2

Names & synonyms

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 259

Physicochemical properties

Melting point: 197 °C · 197 °C
Boiling point: 417.1 · 417.1±38.0 °C(Predicted)
Density: 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)
form: powder to crystal
color: 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 DataBase Reference: 19006 · 19006-82-7
FDA UNII: 5 H7X2M5BA4 · 5H7X2M5BA4
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Hazard Codes: Xn
Risk Statements: 22 · 22-36
Safety Statements: 26 · 26
WGK Germany: 3 · 3
HS Code: 2933399990 · 2933399990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

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

Safety data

wgk: 3
hs_code: 2933399990
risk_code: 22-36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H319
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
Precautionary statements: P264-P270-P280-P301+P312-P305+P351+P338-P337+P313

Chemistry & industry

Applications

Uses6-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.