8-Hydroxyquinoline-5-carbaldehyde

HCID 275363

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Grundinformationen

CAS: 2598-30-3
Standard-SMILES: O=Cc1ccc(O)c2ncccc12
InChIKey: LIADJWREMDHKHQ-UHFFFAOYSA-N
Summenformel: C10H7NO2
Durchschnittliche Molmasse: 173,17 g/mol
Monoisotopische Masse: 173,04767847

Namen und Bezeichner

Bevorzugter Name: 8-Hydroxyquinoline-5-carbaldehyde
IUPAC: 8-hydroxyquinoline-5-carbaldehyde
Englischer Name: 8-Hydroxy-quinoline-5-carbaldehyde
Summenformel: C10H7NO2
Molmasse: 173.17

Namen und Synonyme

8-hydroxyquinoline-5-carbaldehyde2598-30-3DTXSID70298275RefChem:1074720DTXCID002494125-Quinolinecarboxaldehyde, 8-hydroxy-8-hydroxy-quinoline-5-carbaldehydeMFCD03425064MLS000737539CHEMBL14876398-hydroxy-5-quinolinecarboxaldehyde8-hydroxyquinoline-5-carboxaldehyde

Weitere Namen anzeigen

5g 1 pcsIFLAB-BB F2108-0159Indacaterol Impurity 29Indacaterol Impurity 225-Quinolinecarboxaldehyde,8-hydroxy-

5-formyl-8-hydroxyquinoline5-Formyl-8-hydroxyquinoline; 5-Formyl-8-quinolinol; 8-Hydroxyquinoline-5-carbaldehyde; 8-Hydroxyquinoline-5-carboxaldehyde; NSC 122131;NSC1221315-formyl-8-hydroxychinolinSCHEMBL700910SCHEMBL30080768LIADJWREMDHKHQ-UHFFFAOYSA-NHMS2862A16

Datenbank-Bezeichner

CAS: 2598-30-3
PubChem CID: 275363
DTXSID: DTXSID70298275
ChEMBL: CHEMBL1487639
EC Number: 803-415-2
Nikkaji: J651.065E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 50,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 195

Physikochemische Eigenschaften

Schmelzpunkt: 178 °C · 178 °C
Siedepunkt: 383.1 · 383.1±22.0 °C(Predicted)
Dichte: 1.364 · 1.364±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: 3.88 · 3.88±0.10(Predicted)
Farbe: Green
InChI: InChI=1S/C10H7NO2/c12-6-7-3-4-9(13)10-8(7)2-1-5-11-10/h1-6,13H
InChIKey: LIADJWREMDHKHQ-UHFFFAOYSA-N
SMILES: N1C2C(=C(C=O)C=CC=2O)C=CC=1

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)

Aggregated GHS information provided per 39 reports by companies from 2 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.