ChemicalBook--->CAS DataBase List--->1452-94-4

1452-94-4

1452-94-4 Structure

1452-94-4 Structure
IdentificationMore
[Name]

Ethyl 2-chloronicotinate
[CAS]

1452-94-4
[Synonyms]

2-CHLORONICOTINIC ACID ETHYL ESTER
ETHYL 2-CHLORONICOTINATE
ethyl 2-chloropyridine-3-carboxylate
2-Chloro-3-pyridinecarboxylic acid ethyl ester
2-Chloropyridine-3-carboxylic acid ethyl ester
[Molecular Formula]

C8H8ClNO2
[MDL Number]

MFCD00674129
[Molecular Weight]

185.61
[MOL File]

1452-94-4.mol
Chemical PropertiesBack Directory
[Melting point ]

68 C
[Boiling point ]

78°C (0.1 mmHg)
[density ]

1.2445 g/cm3(Temp: 25 °C)
[refractive index ]

1.5210-1.5250
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

neat
[pka]

-1.32±0.10(Predicted)
[color ]

Colorless to Light yellow to Light orange
[Major Application]

pharmaceutical
[InChI]

InChI=1S/C8H8ClNO2/c1-2-12-8(11)6-4-3-5-10-7(6)9/h3-5H,2H2,1H3
[InChIKey]

PMIMPBYTPPRBGD-UHFFFAOYSA-N
[SMILES]

C1(Cl)=NC=CC=C1C(OCC)=O
[CAS DataBase Reference]

1452-94-4(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

WGK 3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29333990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Hazard InformationBack Directory
[Chemical Properties]

Light yellow liquid
[Uses]

Ethyl 2-chloronicotinate,is used as a pharmaceutical intermediate.
[Synthesis Reference(s)]

Tetrahedron, 51, p. 13177, 1995 DOI: 10.1016/0040-4020(95)00788-A
[Synthesis]

2-Chloropyridine-3-carboxylic acid (7.9 g) and thionyl chloride (45 ml) were heated for 3 hours in benzene (65 ml) under reflux. The reaction mixture was concentrated to leave an oil, which was added dropwise to ethanol (40 ml). The mixture was heated for a further one hour under reflux. The solvent was distilled, and the residue was dissolved in toluene. The solution was dried over anhydrous magnesium sulfate. The solvent was distilled to leave Ethyl 2-chloronicotinate (8.4 g, 90%) as a pale yellow oil.Ethyl 2-chloronicotinate
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl 2-chloronicotinate(1452-94-4)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

ethyl 2-chloronicotinate(1452-94-4)
[Alfa Aesar]

Ethyl 2-chloronicotinate, 98%(1452-94-4)
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