3-Hydroxypicolinaldehyde

HCID 2737332CAS 1849-55-4

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Grundinformationen

Standard-SMILES: O=Cc1ncccc1O
InChIKey: ICDSWZBXIZCMHR-UHFFFAOYSA-N
Summenformel: C6H5NO2
Durchschnittliche Molmasse: 123,11 g/mol
Monoisotopische Masse: 123,0320284

Namen und Bezeichner

Bevorzugter Name: 3-Hydroxypicolinaldehyde
IUPAC: 3-hydroxypyridine-2-carbaldehyde
Englischer Name: 3-Hydroxypyridine-2-carboxaldehyde
Summenformel: C6H5NO2
Molmasse: 123.11

Namen und Synonyme

3-hydroxypicolinaldehyde3-hydroxy-2-pyridinecarboxaldehydeRefChem:502586674-305-83-Hydroxypyridine-2-carboxaldehyde1849-55-43-Hydroxypyridine-2-carbaldehyde2-Formyl-3-hydroxypyridineMFCD062455053-hydroxy-2-pyridine aldehydeDTXSID303719973-hydroxy-pyridine-2-carbaldehyde

Weitere Namen anzeigen

IFLAB-BB F1957-00373-Hydroxy-2-pyridinecarbaldehyde3-Hydroxy-pyridin-2-carbaldehyde3-Hydroxypicolinaldehyde, 2-Formyl-3-hydroxypyridine

F1957-0037AKOS000275385CS-W004442AC-1518SY019646P103492-Pyridinecarboxaldehyde, 3-hydroxy-A4092

Datenbank-Bezeichner

CAS: 1849-55-4
PubChem CID: 2737332
DTXSID: DTXSID30371997
EC Number: 674-305-8
Nikkaji: J1.963.064A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
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: 80 · 80-82°C (subl.)
Siedepunkt: 96 · 96-100°C/30mm
Dichte: 1.327 · 1.327±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 1 · pK1:3.40(+1);pK2:6.95(OH)(20°C)
Farbe: Dark Brown
InChI: InChI=1S/C6H5NO2/c8-4-5-6(9)2-1-3-7-5/h1-4,9H
InChIKey: ICDSWZBXIZCMHR-UHFFFAOYSA-N
SMILES: C1(C=O)=NC=CC=C1O
CAS Datenbank: 1849 · 1849-55-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 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.