6-Nitro-4-oxo-1,4-dihydroquinoline-3-carbonitrile

HCID 11053042

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Grundinformationen

CAS: 214470-35-6
Standard-SMILES: N#Cc1c[nH]c2ccc([N+](=O)[O-])cc2c1=O
InChIKey: PZIXIFBGEDRCAM-UHFFFAOYSA-N
Summenformel: C10H5N3O3
Durchschnittliche Molmasse: 215,16 g/mol
Monoisotopische Masse: 215,03309103

Namen und Bezeichner

Bevorzugter Name: 6-Nitro-4-oxo-1,4-dihydroquinoline-3-carbonitrile
IUPAC: 6-nitro-4-oxo-1H-quinoline-3-carbonitrile

Namen und Synonyme

6-nitro-4-oxo-1,4-dihydroquinoline-3-carbonitrile214470-35-6RefChem:544090985-531-42305-65-94-hydroxy-6-nitroquinoline-3-carbonitrile3-Quinolinecarbonitrile, 4-hydroxy-6-nitro-6-nitro-4-oxo-1H-quinoline-3-carbonitrileMFCD090405763-Quinolinecarbonitrile, 1,4-dihydro-6-nitro-4-oxo-4-HYDROXY-6-NITRO-3-QUINOLINECARBONITRILE6-nitro-4-oxo-1,4-dihydro-3-quinolinecarbonitrile

Weitere Namen anzeigen

SCHEMBL1891369SCHEMBL15320353PZIXIFBGEDRCAM-UHFFFAOYSA-NPIA47035AKOS008093112SB70002WS-03231DB-349328

Datenbank-Bezeichner

CAS: 214470-35-6
PubChem CID: 11053042
EC Number: 985-531-4

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP: 1,3
Polarare Oberfläche (TPSA): 98,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 16
Formalladung: 0
Komplexität: 415

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)

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