5-Nitroquinoline-8-carboxylic acid

HCID 15405331CAS 83848-59-3

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Grundinformationen

Standard-SMILES: O=C(O)c1ccc([N+](=O)[O-])c2cccnc12
InChIKey: HXHZCOASPJWXPP-UHFFFAOYSA-N
Summenformel: C10H6N2O4
Durchschnittliche Molmasse: 218,17 g/mol
Monoisotopische Masse: 218,03275668

Namen und Bezeichner

Bevorzugter Name: 5-Nitroquinoline-8-carboxylic acid
IUPAC: 5-nitroquinoline-8-carboxylic acid
Englischer Name: 5-nitroquinoline-8-carboxylic acid
Summenformel: C10H6N2O4
Molmasse: 218.17

Namen und Synonyme

5-nitroquinoline-8-carboxylic acidRefChem:537457823-495-283848-59-38-Quinolinecarboxylic acid, 5-nitro-Oprea1_006490SCHEMBL2961445CHEMBL42279425-nitroquinoline-8-carboxylicacidDTXSID00876181HXHZCOASPJWXPP-UHFFFAOYSA-N5-nitro-8-quinolinecarboxylic acid

Weitere Namen anzeigen

5-nitroquinoline-8-carboxilic acidIDA84859MFCD01435910AKOS002328850SY187149ST45184262EN300-75852G92182

Datenbank-Bezeichner

CAS: 83848-59-3
PubChem CID: 15405331
DTXSID: DTXSID00876181
ChEMBL: CHEMBL4227942
EC Number: 823-495-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 96 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 16
Formalladung: 0
Komplexität: 302

Physikochemische Eigenschaften

Schmelzpunkt: 209 · 209-213 °C
Siedepunkt: 468.6 · 468.6±35.0 °C(Predicted)
Dichte: 1.545 · 1.545±0.06 g/cm3(Predicted)
pka: -3.2 · -3.20±0.10(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)

Aggregated GHS information provided per 2 reports by companies from 2 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.