8-Quinolinecarboxylic acid

HCID 66582CAS 86-59-9

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Grundinformationen

Standard-SMILES: O=C(O)c1cccc2cccnc12
InChIKey: QRDZFPUVLYEQTA-UHFFFAOYSA-N
Summenformel: C10H7NO2
Durchschnittliche Molmasse: 173,17 g/mol
Monoisotopische Masse: 173,04767846

Überblick

Water Pollutants, Chemical

Namen und Bezeichner

Bevorzugter Name: 8-Quinolinecarboxylic acid
IUPAC: quinoline-8-carboxylic acid
Englischer Name: 8-Quinolinecarboxylic acid
Summenformel: C10H7NO2
Molmasse: 173.17

Namen und Synonyme

8-Quinolinecarboxylic acid86-59-98-CarboxyquinolineNSC-65055XW75TFD94DTXSID40235334RefChem:107347DTXCID40157825Quinoline-8-carboxylic acidMFCD000476198-quinoline carboxylic acidMLS000567372

Weitere Namen anzeigen

8-QuinolinecarboxylicAKOS BBS-00005343RARECHEM AL BE 04828-Quinolinecarboxylicaci8-quinlinecarboxylic acidQuinolin-8-carboxylic acid8-Quinolinecarboxylic Acid >

NSC6505STK3442928-QUINOLINECARBOXYLIC ACID [MI]AC-25672AC-907/25014264F0001-2147CCRIS 6956UNII-5XW75TFD94

Datenbank-Bezeichner

CAS: 86-59-9
PubChem CID: 66582
DTXSID: DTXSID40235334
ChEMBL: CHEMBL1427477
UNII: 5XW75TFD94
EC Number: 632-930-3
Nikkaji: J363.941J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 50,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 205

Physikochemische Eigenschaften

Schmelzpunkt: 183 · 183-185 °C (lit.)
Siedepunkt: 303.81 °C · 303.81°C (rough estimate)
Dichte: 1.2427 · 1.2427 (rough estimate)
Brechungsindex: 1.52 · 1.5200 (estimate)
storage temp.: Sealed in dry,Room Temperature
pka: 1.82 · 1.82(at 25℃)
Aggregatzustand: Crystalline Powder
Farbe: Light brown
Wasserlöslichkeit: Insoluble
Merck: 14 · 14,8070
BRN: 19176 · 19176
InChI: InChI=1S/C10H7NO2/c12-10(13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,(H,12,13)
InChIKey: QRDZFPUVLYEQTA-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2C(O)=O)C=CC=1
CAS Datenbank: 86 · 86-59-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29334900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden8-Quinolinecarboxylic acid may be used in the synthesis of novel oxorhenium(V) complexes incorporating quinoline and isoquinoline carboxylic acid derivatives, chiral 1,2,3,4-tetrahydroquinolinyl-oxazoline compounds, used as ligands for Ru-catalyzed asymmetric transfer hydrogenation of ketones and chiral quinolinyl-oxazoline compounds, used as ligands for Cu(II) catalyzed asymmetric cyclopropanation.