4-Chloropyridine-2-carboxylic acid ethyl ester

HCID 13015359CAS 64064-56-8

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Grundinformationen

Standard-SMILES: CCOC(=O)c1cc(Cl)ccn1
InChIKey: MXEIFGRJRCYUDJ-UHFFFAOYSA-N
Summenformel: C8H8ClNO2
Durchschnittliche Molmasse: 185,61 g/mol
Monoisotopische Masse: 185,02435618

Namen und Bezeichner

Bevorzugter Name: 4-Chloropyridine-2-carboxylic acid ethyl ester
IUPAC: ethyl 4-chloropyridine-2-carboxylate
Englischer Name: 4-Chloropyridine-2-carboxylic acid ethyl ester
Summenformel: C8H8ClNO2
Molmasse: 185.61

Namen und Synonyme

4-CHLOROPYRIDINE-2-CARBOXYLIC ACID ETHYL ESTERRefChem:522068812-918-6Ethyl 4-chloropicolinate64064-56-8ethyl 4-chloropyridine-2-carboxylateMFCD09702465Ethyl4-chloropicolinateSCHEMBL7436614-chloro-pyridine-2-carboxylic acid ethyl esterETHYL 4-CHLORO-2-PYRIDINECARBOXYLATESCHEMBL4930386

Weitere Namen anzeigen

4-chloro-2-pyridinecarboxylic acid ethyl ester2-Pyridinecarboxylic acid, 4-chloro-, ethyl ester4-Chloropyridine-2-carboxylic acid ethyl ester ISO 9001：2015 REACH

DTXSID20515247MXEIFGRJRCYUDJ-UHFFFAOYSA-Nethyl 4-chloropyridin-2-carboxylateCL0279AKOS009115073CS-W003624MB07478AS-11348

Datenbank-Bezeichner

CAS: 64064-56-8
PubChem CID: 13015359
DTXSID: DTXSID20515247
EC Number: 812-918-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 39,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 163

Physikochemische Eigenschaften

Siedepunkt: 278.6 · 278.6±20.0 °C(Predicted)
Dichte: 1.245 · 1.245±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -0.11 · -0.11±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

hs_code: 2933399990

Chemie und Industrie

Anwendungen

VerwendenEthyl 4-Chloropicolinate is a reactant in the synthesis of 1,5-naphthyridine aminothiazole and pyrazole derivatives as potent and selective inhibitors of the transforming growth factor-β type I receptor, ALK5.