8-Hydroxyquinoline-7-carboxylic Acid

HCID 231363

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Grundinformationen

CAS: 19829-79-9
Standard-SMILES: O=C(O)c1ccc2cccnc2c1O
InChIKey: JYIAZVFJRYLCBH-UHFFFAOYSA-N
Summenformel: C10H7NO3
Durchschnittliche Molmasse: 189,17 g/mol
Monoisotopische Masse: 189,04259308

Namen und Bezeichner

Bevorzugter Name: 8-Hydroxyquinoline-7-carboxylic Acid
IUPAC: 8-hydroxyquinoline-7-carboxylic acid
Englischer Name: 8-HYDROXYQUINOLINE-7-CARBOXYLIC ACID
Summenformel: C10H7NO3
Molmasse: 189.17

Namen und Synonyme

8-hydroxyquinoline-7-carboxylic acidDTXSID20282700RefChem:548168DTXCID60233852679-993-319829-79-98-Hydroxy-7-quinolinecarboxylic acidMFCD006715397-Quinolinecarboxylic acid, 8-hydroxy-7-carboxy-8-hydroxyquinolineMLS000738075CHEMBL374569

Weitere Namen anzeigen

ine-7-carboxyLhydroxyquinolinecarboxylicacid8-Hydroxyquinoline-7-carboxylicAcid>7-Quinolinecarboxylic acid, 8-hydroxy-8-HYDROXY-7-QUINOLINECARBOXYLIC ACID 98+%(2E)-2-(benzenesulfonylhydrazinylidene)acetic acid8-HYDROXYQUINOLINE-7-CARBOXYLIC ACID ISO 9001：2015 REACH

HMS2762E148-hydroxyquinolin-7-carboxylic acidNSC-27445SB68096Z4406227927-Carboxy-8-hydroxyquinoline; NSC 27445; NSC 35082NSC27445BDBM503

Datenbank-Bezeichner

CAS: 19829-79-9
PubChem CID: 231363
DTXSID: DTXSID20282700
ChEMBL: CHEMBL374569
EC Number: 679-993-3
Nikkaji: J1.196.804J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 70,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 231

Physikochemische Eigenschaften

Schmelzpunkt: 208 · 208-209 °C (decomp)
Siedepunkt: 384.7 · 384.7±32.0 °C(Predicted)
Dichte: 1.48 · 1.480±0.06 g/cm3(Predicted)
storage temp.: -20 °C · -20°C Freezer, Under inert atmosphere
Löslichkeit: DMSO (Slightly, Heated, Sonicated), Methanol (Slightly)
Aggregatzustand: Solid
pka: 1.34 · 1.34±0.30(Predicted)
Farbe: Pale Yellow to Pale Beige
InChI: InChI=1S/C10H7NO3/c12-9-7(10(13)14)4-3-6-2-1-5-11-8(6)9/h1-5,12H,(H,13,14)
InChIKey: JYIAZVFJRYLCBH-UHFFFAOYSA-N
SMILES: N1C2C(=CC=C(C(O)=O)C=2O)C=CC=1
CAS Datenbank: 19829 · 19829-79-9

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.