Chinolin-6-carbonsure

6-Quinolinecarboxylic acid

HCID 82571CAS 10349-57-2

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Grundinformationen

Standard-SMILES: O=C(O)c1ccc2ncccc2c1
InChIKey: VXGYRCVTBHVXMZ-UHFFFAOYSA-N
Summenformel: C10H7NO2
Durchschnittliche Molmasse: 173,17 g/mol
Monoisotopische Masse: 173,04767846

Namen und Bezeichner

Bevorzugter Name: 6-Quinolinecarboxylic acid
IUPAC: quinoline-6-carboxylic acid
Lokaler Name: Chinolin-6-carbonsure
Englischer Name: 6-Quinolinecarboxylic acid
Summenformel: C10H7NO2
Molmasse: 173.17

Namen und Synonyme

Quinoline-6-carboxylic acid6-Quinolinecarboxylic acidEINECS 233-761-4AI3-24365DTXSID7065047VXGYRCVTBHVXMZ-UHFFFAOYSA-RefChem:105259DTXCID5032812233-761-4InChI=1/C10H7NO2/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,(H,12,13)VXGYRCVTBHVXMZ-UHFFFAOYSA-N10349-57-2

Weitere Namen anzeigen

AKOS BBS-00005339TIMTEC-BB SBB003821IFLAB-BB F0406-3604Chinolin-6-carbonsure6-QuinolinecarboxylicaciCHINOLINE-6-CARBOXYLIC ACIDButanoicacid,4-chloro-7-oxo-Quinoline-6-CarboxylicAcid98%

MFCD00047613quinoline, 6-carboxy-ChemDiv3_014140quinoline-6-carboylic acidQuinolin-6-carboxylic acid6-quinoline carboxylic acid6-Quinoline-carboxylic acidOprea1_754929

Datenbank-Bezeichner

CAS: 10349-57-2
PubChem CID: 82571
DTXSID: DTXSID7065047
EC Number: 233-761-4
Nikkaji: J236.783A

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: 293 · 293-294 °C
Siedepunkt: 303.81 °C · 303.81°C (rough estimate)
Dichte: 1.2427 · 1.2427 (rough estimate)
Brechungsindex: 1.52 · 1.5200 (estimate)
storage temp.: Inert atmosphere,Room Temperature
Wasserlöslichkeit: Practically insoluble in water
pka: 3.05 · 3.05±0.30(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: Beige to brown
InChI: InChI=1S/C10H7NO2/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,(H,12,13)
InChIKey: VXGYRCVTBHVXMZ-UHFFFAOYSA-N
SMILES: N1C2C(=CC(C(O)=O)=CC=2)C=CC=1
CAS Datenbank: 10349 · 10349-57-2(CAS DataBase Reference)
EPA chemische Informationen: 6 · 6-Quinolinecarboxylic acid (10349-57-2)

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

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

tsca: TSCA listed
hs_code: 29334900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26
hazard_class: IRRITANT

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information6-Quinolinecarboxylic acid: ACTIVE

Anwendungen

Verwenden6-Quinolinecarboxylic acid is a vital compound and can be used to synthesise 6-Quinolinecarboxaldehyde, 6-(Aminomethyl)quinoline, and Quinolin-6-ylmethanol, etc.