Ethyl 6-chloropyridine-3-carboxylate

ALDRICH/531197 - 97%

Synonym: Ethyl 6-chloronicotinate

CAS Number: 49608-01-7
Empirical Formula (Hill Notation): C₈H₈ClNO₂
Molecular Weight: 185.61
MDL Number: MFCD00082739
Linear Formula: C₈H₈ClNO₂
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-531197-25G	25 g	$45.60 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	97%
functional group	chloro
	ester
InChI	1S/C8H8ClNO2/c1-2-12-8(11)6-3-4-7(9)10-5-6/h3-5H,2H2,1H3
InChI key	ILDJJTQWIZLGPO-UHFFFAOYSA-N
mp	26-30 °C (lit.)
SMILES string	CCOC(=O)c1ccc(Cl)nc1

Application:	Ethyl 6-chloropyridine-3-carboxylate (Ethyl 6-chloronicotinate) may be used in the preparation of ethyl 5-{[5-(1H-benzimidazol-2-yl)pyridin-2-yl]ethynyl}pyridine-2-carboxylate by reacting with 2-[6-(ethynyl)pyridin-3-yl]-1H-benzimidazole under microwave irradiation.
General description:	Ethyl 6-chloropyridine-3-carboxylate (Ethyl-6-chloronicotinate, E-6-ClN) undergoes direct amidation on reacting with benzylamine in the presence lanthanum trifluoromethanesulfonate La(OTf)3. The structural and physicochemical properties of E-6-ClN have been investigated based on its spectroscopic data, time-dependent density functional theory and density of state diagrams.
Packaging:	25 g in glass bottle

Symbol	GHS07
Signal word	Warning
Hazard statements	H315 - H319
Precautionary statements	P302 + P352 - P305 + P351 + P338
Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-36
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	230.0 °F - closed cup
Flash Point(C)	110 °C - closed cup

Purity	97%
mp	26-30 °C (lit.)
UNSPSC	12352100

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