Chinolin-3-ol

3-Hydroxyquinoline

HCID 11376CAS 580-18-7

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Grundinformationen

Standard-SMILES: Oc1cnc2ccccc2c1
InChIKey: IQQDNMHUOLMLNJ-UHFFFAOYSA-N
Summenformel: C9H7NO
Durchschnittliche Molmasse: 145,16 g/mol
Monoisotopische Masse: 145,05276384

Überblick

3-hydroxyquinoline has been reported in Ruta montana with data available.

Namen und Bezeichner

Bevorzugter Name: 3-Hydroxyquinoline
IUPAC: quinolin-3-ol
Lokaler Name: Chinolin-3-ol
Englischer Name: 3-Hydroxyquinoline
Summenformel: C9H7NO
Molmasse: 145.16

Namen und Synonyme

3-HydroxyquinolineQuinolin-3-ol3-QUINOLINOL3-QuinololCCRIS 4328EINECS 209-456-7UNII-12PZ582CI0BRN 0113185DTXSID0020672712PZ582CI05-21-03-00224 (Beilstein Handbook Reference)RefChem:94401

Weitere Namen anzeigen

3-Quinolinol >3-HYDROXYQUINOLINE3-HYDROXYQUINOLINE 98%3-Hydroxyquinoline, 95+%3-HYDROXYQUINOLINE, 97+%3-Hydroxyquinoline,97%,OR-3952

DTXCID30129218IQQDNMHUOLMLNJ-UHFFFAOYSA-N580-18-7MFCD001690183-hydroxychinolinQuinolin-3-o13-hydroxy-quinoline3-hydroxyquinoline, AldrichCPR

Datenbank-Bezeichner

CAS: 580-18-7
PubChem CID: 11376
DTXSID: DTXSID00206727
ChEMBL: CHEMBL3236920
UNII: 12PZ582CI0
EC Number: 209-456-7
Nikkaji: J101.386F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 33,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 138

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesCrystal structure

LogP2.08

Physikochemische Eigenschaften

Schmelzpunkt: 198 · 198-202°C
Siedepunkt: 264.27 °C · 264.27°C (rough estimate)
Dichte: 1.1555 · 1.1555 (rough estimate)
Brechungsindex: 1.45 · 1.4500 (estimate)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
pka: 4.28 · 4.28(at 20℃)
Aggregatzustand: Crystalline Powder
Farbe: Beige
Wasserlöslichkeit: 587.9 mg/L · 587.9mg/L(20 ºC)
InChI: InChI=1S/C9H7NO/c11-8-5-7-3-1-2-4-9(7)10-6-8/h1-6,11H
InChIKey: IQQDNMHUOLMLNJ-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2)C=C(O)C=1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]

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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (80%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 29334990
RTECS-Nr.: VC4050000
risk_code: 22
hazard_code: Xn
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites3OHQ is a known human metabolite of quinoline.

Anwendungen

Verwenden3-Hydroxyquinoline is a chemical reagent used in the preparation cyclic peptides with an antitumor functionality. Quinoline derivative as a result of the metabolism by cytochrome P 450.