6-Methylpyridin-2-ol

HCID 76772

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Grundinformationen

CAS: 3279-76-3
Standard-SMILES: Cc1cccc(=O)[nH]1
InChIKey: JEAVIRYCMBDJIU-UHFFFAOYSA-N
Summenformel: C6H7NO
Durchschnittliche Molmasse: 109,13 g/mol
Monoisotopische Masse: 109,05276385

Namen und Bezeichner

Bevorzugter Name: 6-Methylpyridin-2-ol
IUPAC: 6-methyl-1H-pyridin-2-one
Lokaler Name: 6-Methylpyridin-2-ol
Englischer Name: 2-Hydroxy-6-methylpyridine
Summenformel: C6H7NO
Molmasse: 109.13

Namen und Synonyme

6-Methylpyridin-2-ol2(1H)-Pyridinone, 6-methyl-6-MethylpyridinoneTN77J7TM32EINECS 221-919-5NSC 75619NSC-75619DTXSID40954452RefChem:544032DTXCID701256528221-919-52-Hydroxy-6-methylpyridine

Weitere Namen anzeigen

2(1H)-Pyridone, 6-methyl-6-Methyl-2(1H)-pAKOS BBS-00002969TIMTEC-BB SBB0043452-Methyl-6-pyridone6-Methyl-2H-pyridone6-Hydroxy-α-picoline

3279-76-36-methylpyridin-2(1H)-one91914-07-76-Methyl-2-pyridinol6-methyl-1H-pyridin-2-one6-Methyl-2-pyridone6-Methyl-2-pyridinone6-Methyl-2-hydroxypyridine

Datenbank-Bezeichner

CAS: 3279-76-3、73229-70-6
PubChem CID: 76772
DTXSID: DTXSID40954452
UNII: TN77J7TM32
EC Number: 221-919-5
Nikkaji: J110.371G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
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: 157 · 157-159 °C (lit.)
Siedepunkt: 131 · 131-133C
Dichte: 1.1143 · 1.1143 (rough estimate)
Brechungsindex: 1.504 · 1.5040 (estimate)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Crystalline Powder
pka: 12.12 · 12.12±0.10(Predicted)
Farbe: White to cream
BRN: 107073 · 107073
InChI: InChI=1S/C6H7NO/c1-5-3-2-4-6(8)7-5/h2-4H,1H3,(H,7,8)
InChIKey: JEAVIRYCMBDJIU-UHFFFAOYSA-N
SMILES: C1(=O)NC(C)=CC=C1
CAS Datenbank: 3279 · 3279-76-3(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2(1H)-Pyridinone, 6-methyl-(3279-76-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 47 reports by companies.；There are 6 notifications provided by 46 of 47 reports by companies with hazard statement code(s).；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.