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Name |
Ethyl 2-chloronicotinate |
EINECS | N/A |
CAS No. | 1452-94-4 | Density | 1.245 g/cm3 |
PSA | 39.19000 | LogP | 1.91170 |
Solubility | N/A | Melting Point |
68 °C |
Formula | C8H8ClNO2 | Boiling Point | 255.1 °C at 760 mmHg |
Molecular Weight | 185.61 | Flash Point | 108.1 °C |
Transport Information | N/A | Appearance | Pale yellow oily liquid |
Safety | 26-37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Nicotinicacid, 2-chloro-, ethyl ester (6CI,7CI,8CI);2-Chloro-3-pyridinecarboxylic acidethyl ester;2-Chloronicotinic acid ethyl ester;3-Pyridinecarboxylic acid, 2-chloro-, ethyl ester;Ethyl 2-chloropyridine-3-carboxylate; |
Article Data | 45 |
The Ethyl 2-chloronicotinate, with the CAS registry number 1452-94-4, has the systematic name and IUPAC name of ethyl 2-chloropyridine-3-carboxylate. It belongs to the following product categories: Pharmaceutical Intermediates; Pyridine; Fluorobenzene; Pyridines. And the molecular formula of this chemical is C8H8ClNO2.
The physical properties of Ethyl 2-chloronicotinate are as followings: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 13.14; (6)ACD/BCF (pH 7.4): 13.14; (7)ACD/KOC (pH 5.5): 219.95; (8)ACD/KOC (pH 7.4): 219.95; (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: 1.524; (14)Molar Refractivity: 45.64 cm3; (15)Molar Volume: 149 cm3; (16)Polarizability: 18.09×10-24cm3; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.245 g/cm3; (19)Flash Point: 108.1 °C; (20)Enthalpy of Vaporization: 49.25 kJ/mol; (21)Boiling Point: 255.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0166 mmHg at 25°C.
Preparation of Ethyl 2-chloronicotinate: This chemical can be prepared by 2-chloro-nicotinoyl chloride and ethanol. And the yield is about 95%.
Uses of Ethyl 2-chloronicotinate: It can react with 3-chloro-2-methyl-aniline to produce 2-(3-chloro-2-methyl-anilino)-nicotinic acid ethyl ester. And the yield is about 76%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cccnc1Cl
(2)InChI: InChI=1/C8H8ClNO2/c1-2-12-8(11)6-4-3-5-10-7(6)9/h3-5H,2H2,1H3
(3)InChIKey: PMIMPBYTPPRBGD-UHFFFAOYAW