4-Methoxy-2-quinolinecarboxylic acid

HCID 594596CAS 15733-83-2

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Grundinformationen

Standard-SMILES: COc1cc(C(=O)O)nc2ccccc12
InChIKey: AVBKMSSLAIKOGM-UHFFFAOYSA-N
Summenformel: C11H9NO3
Durchschnittliche Molmasse: 203,19 g/mol
Monoisotopische Masse: 203,05824315

Namen und Bezeichner

Bevorzugter Name: 4-Methoxy-2-quinolinecarboxylic acid
IUPAC: 4-methoxyquinoline-2-carboxylic acid
Englischer Name: 4-METHOXY-2-QUINOLINECARBOXYLIC ACID
Summenformel: C11H9NO3
Molmasse: 203.19

Namen und Synonyme

15733-83-24-Methoxy-2-quinolinecarboxylic acidRefChem:524557626-658-44-methoxyquinoline-2-carboxylic acid2-Quinolinecarboxylic acid, 4-methoxy-MFCD00012336Oprea1_599887SMR000037045CHEMBL51773MLS0000807664-methoxyquinoline-2-carboxylicacid

Weitere Namen anzeigen

SKL593TIMTEC-BB SBB000418LABOTEST-BB LT004520624-Methoxyquinoline-2-carboxylicaci4-Methoxy-2-quinolinecarboxylic acid 95%4-METHOXY-2-QUINOLINECARBOXYLIC ACID, 97+%4-METHOXY-2-QUINOLINECARBOXYLIC ACID, 95 %

4-Methoxy-quinoline-2-carboxylic acidSB714834-Methoxy-2-quinolinecarboxylic acid, 95%CS-00638172-carboxy-4-4-Methoxyquinaldic acid4-METHOXY-2-QUINOLINECARBOXYLICACID2-carboxy-4-methoxyquinoline

Datenbank-Bezeichner

CAS: 15733-83-2
PubChem CID: 594596
DTXSID: DTXSID20344130
ChEMBL: CHEMBL51773
EC Number: 626-658-4
Nikkaji: J307.672E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 59,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 244

Physikochemische Eigenschaften

Schmelzpunkt: 197 °C · 197 °C (dec.)(lit.)
Siedepunkt: 349.5 · 349.5±27.0 °C(Predicted)
Dichte: 1.325 · 1.325±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 1.08 · 1.08±0.30(Predicted)
InChI: 1S/C11H9NO3/c1-15-10-6-9(11(13)14)12-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,13,14)
InChIKey: AVBKMSSLAIKOGM-UHFFFAOYSA-N
SMILES: COc1cc(nc2ccccc12)C(O)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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, 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 45 reports by companies from 5 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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

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

Chemie und Industrie

Anwendungen

Verwenden4-Methoxy-2-quinolinecarboxylic acid was used in preparation of novel oxorhenium(V) complexes incorporating quinoline and isoquinoline carboxylic acid derivatives and 2,3-diaminopyridinium 4-methoxyquinoline-2-carboxylate.