Ethyl 4,6-dichloropyridine-3-carboxylate

HCID 600045CAS 40296-46-6

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Grundinformationen

Standard-SMILES: CCOC(=O)c1cnc(Cl)cc1Cl
InChIKey: AAUBVINEXCCXOK-UHFFFAOYSA-N
Summenformel: C8H7Cl2NO2
Durchschnittliche Molmasse: 220,05 g/mol
Monoisotopische Masse: 218,98538382

Namen und Bezeichner

Bevorzugter Name: Ethyl 4,6-dichloropyridine-3-carboxylate
IUPAC: ethyl 4,6-dichloropyridine-3-carboxylate
Englischer Name: Ethyl 4,6-dichloronicotinate
Summenformel: C8H7Cl2NO2
Molmasse: 220.05

Namen und Synonyme

ethyl 4,6-dichloropyridine-3-carboxylateRefChem:595129803-915-0Ethyl 4,6-dichloronicotinate40296-46-64,6-Dichloronicotinic acid ethyl esterMFCD002344084,6-Dichloropyridine-3-carboxylic acid ethyl ester4,6-dichloro-nicotinic acid ethyl ester2,4-dichloro-5-carbethoxypyridineCS-W002558HY-W002558

Weitere Namen anzeigen

Novobiocin Impurity 5Ethyl 4,6-dichloronitinateEthy14,6-dichloronicotinateEthyl 4,6-dicholoronicotinateEthyl 4,6-Dichloronicotinate >2,4-Dichloro-5-carbethoxypyridineEthyl 4,6-dichloronicotinate ,97%ethyl 4,6-dichloronicotinate (en)

E1068ETHYL 2,4-DICHLOROPYRIDINE-5-CARBOXYLATEEthyl4,6-DiChloronicotinate3-PYRIDINECARBOXYLIC ACID, 4,6-DICHLORO-, ETHYL ESTERFT-0617243ETHYL 4,6-DICHLORO-3-PYRIDINECARBOXYLATESCHEMBL190973orb2940434

Datenbank-Bezeichner

CAS: 40296-46-6
PubChem CID: 600045
DTXSID: DTXSID40344874
EC Number: 803-915-0
Nikkaji: J89.349H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 39,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 189

Physikochemische Eigenschaften

Schmelzpunkt: 32 · 32-34°
Siedepunkt: 85 °C/0.01mmHg · 85°C/0.01mmHg(lit.)
Dichte: 1.367 · 1.367±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Soluble in methanol.
pka: -1.24 · -1.24±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Yellow
InChI: InChI=1S/C8H7Cl2NO2/c1-2-13-8(12)5-4-11-7(10)3-6(5)9/h3-4H,2H2,1H3
InChIKey: AAUBVINEXCCXOK-UHFFFAOYSA-N
SMILES: C1=NC(Cl)=CC(Cl)=C1C(OCC)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 29339900
risk_code: 36/37/38
safety_code: 26-36
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenEthyl 4,6-dichloronicotinate is an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals, and dyestuffs. It is also used as a fine chemical intermediate. Ethyl-4,6-dichloronicotinate could be used as a starting material to synthesize 6-chlorothieno[3,2-c]pyridine-2-carbohydrazide-hydrazone subsidiaries[1].