6-Quinolinecarbaldehyde

HCID 765653CAS 4113-04-6

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Grundinformationen

Standard-SMILES: O=Cc1ccc2ncccc2c1
InChIKey: VUAOIXANWIFYCU-UHFFFAOYSA-N
Summenformel: C10H7NO
Durchschnittliche Molmasse: 157,17 g/mol
Monoisotopische Masse: 157,05276385

Namen und Bezeichner

Bevorzugter Name: 6-Quinolinecarbaldehyde
IUPAC: quinoline-6-carbaldehyde
Englischer Name: 6-Quinolinecarbaldehyde
Summenformel: C10H7NO
Molmasse: 157.17

Namen und Synonyme

6-QuinolinecarbaldehydeRefChem:544310689-110-3Quinoline-6-carbaldehyde6-Quinolinecarboxaldehyde4113-04-6quinoline-6-carboxaldehydeMFCD008058366-FORMYLQUINOLINE6-quinolinemethanalQuinolin-6-carbaldehydeSCHEMBL496860

Weitere Namen anzeigen

inecarbaLAKOS AUF01714AKOS BBS-00005338

SCHEMBL2009640SCHEMBL5748279SCHEMBL5748480SCHEMBL5748839RARECHEM AK ML 0559SCHEMBL29953906DTXSID60354177VUAOIXANWIFYCU-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 4113-04-6
PubChem CID: 765653
DTXSID: DTXSID60354177
EC Number: 689-110-3
Nikkaji: J550.329I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 30 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 169

Physikochemische Eigenschaften

Schmelzpunkt: 74 · 74-75°C
Siedepunkt: 314.3 · 314.3±15.0 °C(Predicted)
Dichte: 1.223 · 1.223±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: powder to crystal
pka: 4.13 · 4.13±0.10(Predicted)
Farbe: White to Yellow to Green
InChI: 1S/C10H7NO/c12-7-8-3-4-10-9(6-8)2-1-5-11-10/h1-7H
InChIKey: VUAOIXANWIFYCU-UHFFFAOYSA-N
SMILES: O=Cc1ccc2ncccc2c1
CAS Datenbank: 4113 · 4113-04-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.