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| CAS No.: | 63592-85-8 |
|---|---|
| Name: | Methyl 4-Chloronicotinate |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C7H6ClNO2 |
| Molecular Weight: | 171.583 |
| Synonyms: | methyl 4-chloronicotinate;4-Chloronicotinicacidmethylester;4-Chloropyridine-3-carboxylic acid methyl ester;Methyl 4-chloronicotinate hydrochloride;3-Pyridinecarboxylic acid, 4-chloro-, Methyl ester;Methyl 4-chloropyridine-3-carboxylate;3-Carbomethoxy-4-chloropyridine;4-Chloro-3-pyridinecarboxylic acid methyl ester |
| Density: | 1.295 g/cm3 |
| Boiling Point: | 227.371 °C at 760 mmHg |
| Flash Point: | 91.311 °C |
| PSA: | 39.19000 |
| LogP: | 1.52160 |
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Specification
The Methyl 4-chloropyridine-3-carboxylate, with the CAS registry number 63592-85-8, is also known as 3-Pyridinecarboxylic acid, 4-chloro-, methyl ester. This chemical's molecular formula is C7H6ClNO2 and molecular weight is 171.58. Its systematic name is called methyl 4-chloropyridine-3-carboxylate.
Physical properties of Methyl 4-chloropyridine-3-carboxylate: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 85; (8)ACD/KOC (pH 7.4): 85; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.531; (12)Molar Refractivity: 41.012 cm3; (13)Molar Volume: 132.501 cm3; (14)Surface Tension: 44.457 dyne/cm; (15)Density: 1.295 g/cm3; (16)Flash Point: 91.311 °C; (17)Enthalpy of Vaporization: 46.394 kJ/mol; (18)Boiling Point: 227.371 °C at 760 mmHg; (19)Vapour Pressure: 0.078 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccncc1C(=O)OC
(2)InChI: InChI=1/C7H6ClNO2/c1-11-7(10)5-4-9-3-2-6(5)8/h2-4H,1H3
(3)InChIKey: SNZRPPBWRSEVIU-UHFFFAOYAZ