Chinolin-3-carbaldehyd

3-Quinolinecarboxaldehyde

HCID 83641CAS 13669-42-6

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Grundinformationen

Standard-SMILES: O=Cc1cnc2ccccc2c1
InChIKey: RYGIHSLRMNXWCN-UHFFFAOYSA-N
Summenformel: C10H7NO
Durchschnittliche Molmasse: 157,17 g/mol
Monoisotopische Masse: 157,05276385

Namen und Bezeichner

Bevorzugter Name: 3-Quinolinecarboxaldehyde
IUPAC: quinoline-3-carbaldehyde
Lokaler Name: Chinolin-3-carbaldehyd
Englischer Name: 3-Quinolinecarboxaldehyde
Summenformel: C10H7NO
Molmasse: 157.17

Namen und Synonyme

3-Quinolinecarboxaldehyde13669-42-6Quinoline-3-carbaldehydeDTXSID40159889RefChem:872033DTXCID3082380237-147-7Quinoline-3-carboxaldehyde3-QuinolinecarbaldehydeMFCD000067683-FormylquinolineEINECS 237-147-7

Weitere Namen anzeigen

3-QAKOS BBS-00005332RARECHEM AK ML 0129Chinolin-3-carbaldehyd3-quinoliecarboxaldehyde3-quinolylcarboxaldehyde

quinoline-3 carbaldehyde3-quinoline carboxaldehydequinoline 3-carboxaldehyde3-Quinoline-carboxaldehydeQUINOLINE-3-ALDEHYDECHEMBL11852SCHEMBL232457SCHEMBL232458

Datenbank-Bezeichner

CAS: 13669-42-6
PubChem CID: 83641
DTXSID: DTXSID40159889
ChEMBL: CHEMBL11852
EC Number: 237-147-7
Nikkaji: J277.973K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
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: 68 · 68-71 °C (lit.)
Siedepunkt: 128 °C/1mmHg · 128°C/1mmHg(lit.)
Dichte: 1.223 · 1.223±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 3.36 · 3.36±0.11(Predicted)
Aggregatzustand: Powder
Farbe: White to yellow
BRN: 113269 · 113269
InChI: 1S/C10H7NO/c12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-7H
InChIKey: RYGIHSLRMNXWCN-UHFFFAOYSA-N
SMILES: [H]C(=O)c1cnc2ccccc2c1
CAS Datenbank: 13669 · 13669-42-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (13.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): 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 44 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.