Ethyl 4-chloro-6-methoxyquinoline-3-carboxylate

HCID 304558

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Grundinformationen

CAS: 22931-71-1
Standard-SMILES: CCOC(=O)c1cnc2ccc(OC)cc2c1Cl
InChIKey: QURGQUFEJWWDRF-UHFFFAOYSA-N
Summenformel: C13H12ClNO3
Durchschnittliche Molmasse: 265,69 g/mol
Monoisotopische Masse: 265,0505709

Namen und Bezeichner

Bevorzugter Name: Ethyl 4-chloro-6-methoxyquinoline-3-carboxylate
IUPAC: ethyl 4-chloro-6-methoxyquinoline-3-carboxylate
Englischer Name: ethyl 4-chloro-6-methoxy-quinoline-3-carboxylate
Summenformel: C13H12ClNO3
Molmasse: 265.69

Namen und Synonyme

ethyl 4-chloro-6-methoxyquinoline-3-carboxylateDTXSID30307938RefChem:595387DTXCID90259065803-412-622931-71-1MFCD001734174-Chloro-6-methoxyquinoline-3-carboxylic acid ethyl esterEthyl 4-chloro-6-methoxy-quinoline-3-carboxylateGNF-Pf-35513-Quinolinecarboxylic acid, 4-chloro-6-methoxy-, ethyl esterethyl 4chloro-6methoxyquinoline-3-carboxylate

Weitere Namen anzeigen

3-Carbethoxy-4-chloro-6-methoxyquinoline4-Chloro-6-methoxy-quinoline-3-carboxylic acid ethyl ester

6J-071SR-01000453170SR-01000453170-13-CarbethNSC196908FT-0646041Ethyl4-chloro-6-methoxyquinoline-3-carboxylateEthyl 4-chloro-6-methoxy-3-quinolinecarboxylate

Datenbank-Bezeichner

CAS: 22931-71-1
PubChem CID: 304558
DTXSID: DTXSID30307938
ChEMBL: CHEMBL601324
EC Number: 803-412-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 48,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 18
Formalladung: 0
Komplexität: 300

Physikochemische Eigenschaften

Schmelzpunkt: 88 · 88-90℃
storage temp.: Store at room temperature
Aggregatzustand: solid
InChI: 1S/C13H12ClNO3/c1-3-18-13(16)10-7-15-11-5-4-8(17-2)6-9(11)12(10)14/h4-7H,3H2,1-2H3
InChIKey: QURGQUFEJWWDRF-UHFFFAOYSA-N
SMILES: CCOC(=O)c1cnc2ccc(OC)cc2c1Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.；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 CategoriesEye Irrit. 2A (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2933499090
risk_code: 36
hazard_code: Xi
safety_code: 26
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2

Chemie und Industrie

Anwendungen

VerwendenEthyl 4-chloro-6-methoxyquinoline-3-carboxylate is an important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.