Ethyl 4-chloro-7-(trifluoromethyl)quinoline-3-carboxylate

HCID 14515676CAS 21168-42-3

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Grundinformationen

Standard-SMILES: CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Cl
InChIKey: SKBIFKCXMGRLLK-UHFFFAOYSA-N
Summenformel: C13H9ClF3NO2
Durchschnittliche Molmasse: 303,66 g/mol
Monoisotopische Masse: 303,0273907

Namen und Bezeichner

Bevorzugter Name: Ethyl 4-chloro-7-(trifluoromethyl)quinoline-3-carboxylate
IUPAC: ethyl 4-chloro-7-(trifluoromethyl)quinoline-3-carboxylate
Englischer Name: 4-CHLORO-7-TRIFLUOROMETHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
Summenformel: C13H9ClF3NO2
Molmasse: 303.66

Namen und Synonyme

21168-42-3Ethyl 4-chloro-7-(trifluoromethyl)quinoline-3-carboxylateDTXSID50561191RefChem:343911DTXCID005119694-Chloro-7-trifluoromethylquinoline-3-carboxylic acid ethyl esterMFCD07700248C13H9ClF3NO2SCHEMBL429137Ethyl 4-chloro-7-trifluoromethyl-3-quinolinecarboxylateAKOS002684128AB42135

Weitere Namen anzeigen

ETHYL 4-CHLORO-7-TRIFLUOROMETHYL-3-CARBOXYLATE4-chloro-7-(trifluoromethyl)quinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 4-chloro-7-(trifluoromethyl)-, ethyl ester

DS-6648DA-08251CS-0316347O11793F325087Ethyl4-chloro-7-(trifluoromethyl)quinoline-3-carboxylateethyl 4-chloro-7-(trifluoromethyl)-3-quinoline-carboxylate

Datenbank-Bezeichner

CAS: 21168-42-3
PubChem CID: 14515676
DTXSID: DTXSID50561191
EC Number: 803-217-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,9
Polarare Oberfläche (TPSA): 39,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 3
Schwere Atome: 20
Formalladung: 0
Komplexität: 364

Physikochemische Eigenschaften

Siedepunkt: 338.7 · 338.7±37.0 °C(Predicted)
Dichte: 1.401 · 1.401±0.06 g/cm3(Predicted)
pka: -0.58 · -0.58±0.38(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 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.