2-Oxo-1,2-dihydroquinoline-3-carbonitrile

HCID 2764577

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Grundinformationen

CAS: 36926-82-6
Standard-SMILES: N#Cc1cc2ccccc2[nH]c1=O
InChIKey: WNRMLIGSXULUPQ-UHFFFAOYSA-N
Summenformel: C10H6N2O
Durchschnittliche Molmasse: 170,17 g/mol
Monoisotopische Masse: 170,04801282

Namen und Bezeichner

Bevorzugter Name: 2-Oxo-1,2-dihydroquinoline-3-carbonitrile
IUPAC: 2-oxo-1H-quinoline-3-carbonitrile
Englischer Name: 2-Oxo-1,2-dihydro-3-quinolinecarbonitrile
Summenformel: C10H6N2O
Molmasse: 170.17

Namen und Synonyme

36926-82-62-oxo-1,2-dihydroquinoline-3-carbonitrileDTXSID60377508RefChem:477630DTXCID20328536824-395-12-oxo-1H-quinoline-3-carbonitrile2-OXO-1,2-DIHYDRO-3-QUINOLINECARBONITRILE3-Quinolinecarbonitrile, 1,2-dihydro-2-oxo-MFCD021759362-oxohydroquinoline-3-carbonitrile3-cyano-2(1H)-quinolinone

Weitere Namen anzeigen

3-CYANOQUINOLIN-2-ONE2-Oxo-1,2-dihydro-3-quinolinecarbonirile1,2-Dihydro-2-oxoquinoline-3-carbonitrile3-Quinolinecarbonitrile,1,2-dihydro-2-oxo-2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBONITRILE

3-cyanoquinolin-2(1h)-one3-cyano-2-[1H]-quinoloneSCHEMBL1903750SCHEMBL6071693SCHEMBL29890500WNRMLIGSXULUPQ-UHFFFAOYSA-NLBA92682SBB068681

Datenbank-Bezeichner

CAS: 36926-82-6
PubChem CID: 2764577
DTXSID: DTXSID60377508
EC Number: 824-395-1
Nikkaji: J928.393E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 52,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 13
Formalladung: 0
Komplexität: 310

Physikochemische Eigenschaften

Schmelzpunkt: 314 · 314-318
Siedepunkt: 402.8 · 402.8±45.0 °C(Predicted)
Dichte: 1.32 · 1.32±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 9.73 · 9.73±0.70(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, 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 2 reports by companies from 1 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.