5-Methyl-2-pyridon

2-Hydroxy-5-methylpyridine

HCID 70482CAS 1003-68-5

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Grundinformationen

Standard-SMILES: Cc1ccc(=O)[nH]c1
InChIKey: SOHMZGMHXUQHGE-UHFFFAOYSA-N
Summenformel: C6H7NO
Durchschnittliche Molmasse: 109,13 g/mol
Monoisotopische Masse: 109,05276384

Überblick

5-Methyl-2-pyridinol is a member of methylpyridines.

Namen und Bezeichner

Bevorzugter Name: 2-Hydroxy-5-methylpyridine
IUPAC: 5-methyl-1H-pyridin-2-one
Lokaler Name: 5-Methyl-2-pyridon
Englischer Name: 2-Hydroxy-5-methylpyridine
Summenformel: C6H7NO
Molmasse: 109.13

Namen und Synonyme

2-Hydroxy-5-methylpyridine1003-68-55-Methyl-2-pyridone5-Methyl-2(1H)-pyridinoneC173P2D70YDTXSID20143120RefChem:537051DTXCID3065611213-713-95-methylpyridin-2-ol91914-06-65-Methylpyridin-2(1H)-one

Weitere Namen anzeigen

AKOS BBS-00002970Hydroxy-5-Methylpyrid5-Methyl-2-oxopyridine2-Hydroxy-5-methyL6-HYDROXY-3-PICOLINE

5-methyl-1H-pyridin-2-one2-Hydroxy-5-picoline5-Methyl-2-pyridinol2-Pyridinol, 5-methyl-2(1H)-Pyridinone, 5-methyl-Pirfenidone EP Impurity B5-methyl-pyridin-2-ol5-methyl-2(1H)-pyridone

Datenbank-Bezeichner

CAS: 1003-68-5、1192-99-0、91914-06-6
PubChem CID: 70482
DTXSID: DTXSID20143120
ChEBI: CHEBI:194862
UNII: C173P2D70Y
EC Number: 213-713-9、618-801-4
Nikkaji: J110.369E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 167

Physikochemische Eigenschaften

Schmelzpunkt: 183 · 183-187 °C (lit.)
Siedepunkt: 304.2 · 304.2±15.0 °C(Predicted)
Dichte: 1.053 · 1.053±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 12.43 · 12.43±0.10(Predicted)
Farbe: Pale Yellow to Light Yellow
BRN: 107074 · 107074
InChI: InChI=1S/C6H7NO/c1-5-2-3-6(8)7-4-5/h2-4H,1H3,(H,7,8)
InChIKey: SOHMZGMHXUQHGE-UHFFFAOYSA-N
SMILES: C1(=O)NC=C(C)C=C1
CAS Datenbank: 1003 · 1003-68-5(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2(1H)-pyridinone, 5-methyl-(1003-68-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 8% (4 of 50) of reports.

Danger

H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]

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 50 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 27-02-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18172

Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (80%)

Skin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29333990
risk_code: 22-37/38-41-36/37/39
hazard_code: Xn
safety_code: 26-36-37
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Hydroxy-5-methylpyridine (cas# 1003-68-5) is a useful compound for organic synthesis. In particular it has been used for the diastereoselective preparation of cyclobutane-fused pyridinyl sulfonyl fluorides. 2-hydroxy-5-methylpyridine and Iodobenzene were the impurities present in Pirfenidone (PFD) drug substance. PFD is a novel antifibrotic agent approved for mild to moderate Idiopathic pulmonary fibrosis (IPF) as orphan drug[1].