1-Methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde

HCID 4914628CAS 67735-60-8

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Grundinformationen

Standard-SMILES: Cn1c(=O)c(C=O)cc2ccccc21
InChIKey: AWJCCKYFFMSHCJ-UHFFFAOYSA-N
Summenformel: C11H9NO2
Durchschnittliche Molmasse: 187,19 g/mol
Monoisotopische Masse: 187,06332853

Namen und Bezeichner

Bevorzugter Name: 1-Methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde
IUPAC: 1-methyl-2-oxoquinoline-3-carbaldehyde
Englischer Name: 1-METHYL-2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBALDEHYDE
Summenformel: C11H9NO2
Molmasse: 187.19

Namen und Synonyme

1-methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde67735-60-8DTXSID20406782RefChem:231644DTXCID70357634973-645-71-Methyl-2-oxo-1,2-dihydro-quinoline-3-carbaldehydeMFCD067382361-methyl-2-oxoquinoline-3-carbaldehyde1-METHYL-2-OXO-1,2-DIHYDRO-3-QUINOLINECARBALDEHYDE1,2-Dihydro-1-methyl-2-oxo-3-quinolinecarboxaldehyde1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxaldehyde

Weitere Namen anzeigen

3-Quinolinecarboxaldehyde, 1,2-dihydro-1-Methyl-2-oxo-1-methyl-2-oxo-1,2-dihydro-3-quinolinecarbaldehyde(SALTDATA: FREE)

1-methyl-3-formylcarbostyril1,2-dihydro-1-methyl-2-oxoquinoline-3-carbaldehydeSCHEMBL2406376SCHEMBL29954954AWJCCKYFFMSHCJ-UHFFFAOYSA-NALBB-035290AKOS BBS-00006243STK801382

Datenbank-Bezeichner

CAS: 67735-60-8
PubChem CID: 4914628
DTXSID: DTXSID20406782
EC Number: 973-645-7
Nikkaji: J1.528.291F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 37,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 296

Physikochemische Eigenschaften

Schmelzpunkt: 215 ℃ · 215℃
Siedepunkt: 326.6 · 326.6±41.0 °C(Predicted)
Dichte: 1.321 · 1.321
storage temp.: 2 · Storage temp. 2-8°C
pka: -0.55 · -0.55±0.40(Predicted)

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.