CAS 358751-77-6 1,6-Dihydro-6-oxopyridine-2-carboxaldehyde (HCID 22018813)

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Grundinformationen

CAS: 358751-77-6
Standard-SMILES: O=Cc1cccc(=O)[nH]1
InChIKey: KRZYMTAWRSVBPH-UHFFFAOYSA-N
Summenformel: C6H5NO2
Durchschnittliche Molmasse: 123,11 g/mol
Monoisotopische Masse: 123,0320284

Namen und Bezeichner

Bevorzugter Name: 1,6-Dihydro-6-oxopyridine-2-carboxaldehyde
IUPAC: 6-oxo-1H-pyridine-2-carbaldehyde
Englischer Name: 2-Pyridinecarboxaldehyde,1,6-dihydro-6-oxo-(9CI)
Summenformel: C6H5NO2
Molmasse: 123.11

Namen und Synonyme

1,6-Dihydro-6-oxopyridine-2-carboxaldehydeRefChem:417580870-403-1358751-77-62-Pyridone-6-carboxaldehyde6-Hydroxypicolinaldehyde6-Oxo-1,6-dihydropyridine-2-carbaldehyde6-oxo-1H-pyridine-2-carbaldehyde1869712-45-76-hydroxypyridine-2-carbaldehydeMFCD106882702-Pyridinecarboxaldehyde,1,6-dihydro-6-oxo-(9CI)

Weitere Namen anzeigen

1,6-Dihydro-6-oxo-2-pyridinecarboxaldehyde6-hydroxypyridine-2-carbaldehyde - [H86579]6-Hydroxypyridine-2-carboxaldehyde, 6-Hydroxypicolinaldehyde, 1,2-Dihydro-6-formyl-2-oxopyridine

6-Hydroxypyridine-2-carboxaldehyde2-Pyridinecarboxaldehyde, 1,6-dihydro-6-oxo-2-Pyridinecarboxaldehyde,1,6-dihydro-6-oxo-SCHEMBL1536737SCHEMBL3274869SCHEMBL4755029SCHEMBL29955706DTXSID20621574

Datenbank-Bezeichner

CAS: 358751-77-6
PubChem CID: 22018813
DTXSID: DTXSID20621574
EC Number: 870-403-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
Polarare Oberfläche (TPSA): 46,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 203

Physikochemische Eigenschaften

Siedepunkt: 393.6 · 393.6±42.0 °C(Predicted)
Dichte: 1.365 · 1.365±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 9.33 · 9.33±0.10(Predicted)
Aggregatzustand: solid
Farbe: Light brown

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.