Ethyl 6-chloronicotinate

The Ethyl 6-chloronicotinate, with the CAS registry number 49608-01-7, is also known as 6-Chloronicotinic acid ethyl ester. It belongs to the product categories of Esters; Pyridines; Building Blocks; C7 to C18; C8 to C9; Chemical Synthesis; Halogenated Heterocycles; Heterocyclic Building Blocks. This chemical's molecular formula is C₈H₈ClNO₂ and molecular weight is 185.61. What's more, its IUPAC name is called ethyl 6-Ehloropyridine-3-carboxylate.

Physical properties about Ethyl 6-chloronicotinate are: (1)ACD/LogP: 1.826; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 14.38; (6)ACD/BCF (pH 7.4): 14.38; (7)ACD/KOC (pH 5.5): 234.65; (8)ACD/KOC (pH 7.4): 234.65; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 45.645 cm³; (15)Molar Volume: 149.007 cm³; (16)Polarizability: 18.095×10^-24cm³; (17)Surface Tension: 43.160 dyne/cm; (18)Density: 1.246 g/cm³; (19)Flash Point: 104.517 °C; (20)Enthalpy of Vaporization: 48.643 kJ/mol; (21)Boiling Point: 249.207 °C at 760 mmHg; (22)Vapour Pressure: 0.023 mmHg at 25 °C.

Preparation of Ethyl 6-chloronicotinate: this chemical can be prepared by 6-chloro-nicotinic acid with ethanol. The reaction occurs with reagent H₂SO₄ and other condition of heating for 2 hours. The yield is 46 %.

Uses of Ethyl 6-chloronicotinate: it is used to produce other chemicals. For example, it can react with sodium ethoxide to get 6-ethoxy-nicotinic acid ethyl ester. The reaction occurs with reagent EtOH and other condition of heating for 16 hours. The yield is 77 %.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1ccc(nc1)Cl
(2) InChI: InChI=1S/C8H8ClNO2/c1-2-12-8(11)6-3-4-7(9)10-5-6/h3-5H,2H2,1H3
(3) InChIKey: ILDJJTQWIZLGPO-UHFFFAOYSA-N