5-Hydroxy-2-pyridinecarboxaldehyde

HCID 278389CAS 31191-08-9

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Grundinformationen

Standard-SMILES: O=Cc1ccc(O)cn1
InChIKey: HSODMUBHOXGNNQ-UHFFFAOYSA-N
Summenformel: C6H5NO2
Durchschnittliche Molmasse: 123,11 g/mol
Monoisotopische Masse: 123,0320284

Namen und Bezeichner

Bevorzugter Name: 5-Hydroxy-2-pyridinecarboxaldehyde
IUPAC: 5-hydroxypyridine-2-carbaldehyde
Englischer Name: 5-hydroxypyridine-2-carbaldehyde
Summenformel: C6H5NO2
Molmasse: 123.11

Namen und Synonyme

5-HYDROXY-2-PYRIDINECARBOXALDEHYDERefChem:536195826-139-45-hydroxypicolinaldehyde31191-08-95-hydroxypyridine-2-carbaldehyde5-Hydroxypyridine-2-carboxaldehydeMFCD106975385-hydroxy-2-formylpyridine2-Formyl-5-hydroxypyridine2-Pyridinecarboxaldehyde, 5-hydroxy-5-hydroxypyridin-2-carboxaldehyde

Weitere Namen anzeigen

NSC 129151NSC 1279483-fluoropropanoic5-HYDROXYPYRIDINE-2-CARBAL

5-Hydroxy-pyridine-2-carbaldehydeNSC127948Picolinaldehyde, dimer5-HYDROXY-2-PYRIDINECARBALDEHYDE6-Formyl-3-pyridinol2-formyl-5-hydroxy pyridineSCHEMBL179115SCHEMBL941512

Datenbank-Bezeichner

CAS: 31191-08-9
PubChem CID: 278389
DTXSID: DTXSID50299068
EC Number: 826-139-4
Nikkaji: J3.027.895J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 50,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 105

Physikochemische Eigenschaften

Schmelzpunkt: 223 · 223-225 °C (decomp)
Siedepunkt: 363.5 · 363.5±22.0 °C(Predicted)
Dichte: 1.327 · 1.327±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 3.17 · 3.17±0.18(Predicted)
Aggregatzustand: solid
Farbe: Light brown to brown

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (60%): 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)

Aggregated GHS information provided per 5 reports by companies from 5 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.