Methyl 4-chloroquinoline-7-carboxylate

HCID 21708520CAS 178984-69-5

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Grundinformationen

Standard-SMILES: COC(=O)c1ccc2c(Cl)ccnc2c1
InChIKey: QUCTXYQKZCLAPW-UHFFFAOYSA-N
Summenformel: C11H8ClNO2
Durchschnittliche Molmasse: 221,64 g/mol
Monoisotopische Masse: 221,0243562

Namen und Bezeichner

Bevorzugter Name: Methyl 4-chloroquinoline-7-carboxylate
IUPAC: methyl 4-chloroquinoline-7-carboxylate
Englischer Name: methyl 4-chloroquinoline-7-carboxylate
Summenformel: C11H8ClNO2
Molmasse: 221.64

Namen und Synonyme

Methyl 4-chloroquinoline-7-carboxylate178984-69-5DTXSID20617199RefChem:355683DTXCID70567953886-418-1MFCD183814197-Quinolinecarboxylic acid, 4-chloro-, methyl ester7-Methyloxycarbonyl-4-chloroquinolineMethyl4-chloroquinoline-7-carboxylateSCHEMBL43999847-met

Weitere Namen anzeigen

SCHEMBL304262507-methoxycarbonyl-4-chloroquinolineAKOS016002574CS-W006117SB71732DS-16623SY105823DB-360797

Datenbank-Bezeichner

CAS: 178984-69-5
PubChem CID: 21708520
DTXSID: DTXSID20617199
EC Number: 886-418-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 39,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 247

Physikochemische Eigenschaften

Siedepunkt: 333.6 · 333.6±22.0 °C(Predicted)
Dichte: 1.33 · 1.330±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 1.58 · 1.58±0.27(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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.