2-Acetyl-6-methylpyridine

HCID 138872CAS 6940-57-4

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Grundinformationen

Standard-SMILES: CC(=O)c1cccc(C)n1
InChIKey: FPQMUQPPAYCAME-UHFFFAOYSA-N
Summenformel: C8H9NO
Durchschnittliche Molmasse: 135,16 g/mol
Monoisotopische Masse: 135,06841391

Namen und Bezeichner

Bevorzugter Name: 2-Acetyl-6-methylpyridine
IUPAC: 1-(6-methyl-2-pyridinyl)ethanone
Englischer Name: 1-(6-METHYL-PYRIDIN-2-YL)-ETHANONE
Summenformel: C8H9NO
Molmasse: 135.16

Namen und Synonyme

2-Acetyl-6-methylpyridine6940-57-41-(6-methylpyridin-2-yl)ethanoneKetone, methyl 6-methyl-2-pyridyl6-Acetyl-2-picoline1-(6-Methyl-2-pyridinyl)ethanone6-methyl-2-acetylpyridineAWB2JUD65KNSC-60153ETHANONE, 1-(6-METHYL-2-PYRIDINYL)-DTXSID90219528NSC 60153

Weitere Namen anzeigen

2-Acyl-6-methylpyridine6-Acetyl-2-methylpyridine2-ACETYL-6-METHYL PYIDINE2-methyl-6-acetylpyridine2-Acetyl-6-Methylpyridine,98%

Methyl 6-methyl-2-pyridyl ketone, 8CI1-(6-Methyl-2-pyridinyl)ethanone, 9CIRefChem:84986DTXCID40142019FPQMUQPPAYCAME-UHFFFAOYSA-N1-(6-Methylpyridin-2-yl)ethan-1-one1-(6-METHYL-PYRIDIN-2-YL)-ETHANONEMFCD06658293

Datenbank-Bezeichner

CAS: 6940-57-4
PubChem CID: 138872
DTXSID: DTXSID90219528
ChEBI: CHEBI:179151
UNII: AWB2JUD65K
EC Number: 806-088-4
Nikkaji: J2.275.815B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 30 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 133

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 3 Einträge

1073

1107

1614；1603

Physikochemische Eigenschaften

Siedepunkt: 209 ℃ · 209℃
Dichte: 1.036 · 1.036±0.06 g/cm3(Predicted)
Flammpunkt: 84 ° · 84°(183°F)
Brechungsindex: 1.515 · 1.5150
storage temp.: Inert atmosphere,Room Temperature
pka: 3.24 · 3.24±0.10(Predicted)
Aggregatzustand: Solid
Farbe: Pale yellow
InChI: 1S/C8H9NO/c1-6-4-3-5-8(9-6)7(2)10/h3-5H,1-2H3
InChIKey: FPQMUQPPAYCAME-UHFFFAOYSA-N
SMILES: CC(=O)c1cccc(C)n1
CAS Datenbank: 6940 · 6940-57-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory.；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.