| Identification | More | [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 Properties | Back 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 | [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 Data | Back Directory | [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 . | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29333990 |
| Hazard Information | Back 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. |
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