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2-Pyridinecarboxylicacid, 4-chloro-, ethyl ester

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Name

2-Pyridinecarboxylicacid, 4-chloro-, ethyl ester

EINECS -0
CAS No. 64064-56-8 Density 1.246 g/cm3
PSA 39.19000 LogP 1.91170
Solubility N/A Melting Point N/A
Formula C8H8ClNO2 Boiling Point 278.561 °C at 760 mmHg
Molecular Weight 185.61 Flash Point 122.27 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 64064-56-8 (4-Chloropyridine-2-carboxylic acid ethyl ester) Hazard Symbols N/A
Synonyms

Picolinicacid, 4-chloro-, ethyl ester (7CI);4-Chloropyridine-2-carboxylic acid ethylester;Ethyl 4-chloro-2-pyridinecarboxylate;Ethyl 4-chloropicolinate;

Article Data 17

2-Pyridinecarboxylicacid, 4-chloro-, ethyl ester Specification

The 2-Pyridinecarboxylicacid, 4-chloro-, ethyl ester, with the CAS registry number 64064-56-8, is also known as Ethyl 4-chloropyridine-2-carboxylate. This chemical's molecular formula is C8H8ClNO2 and molecular weight is 185.6076. Its systematic name is called ethyl 4-chloropyridine-2-carboxylate.

Physical properties of 2-Pyridinecarboxylicacid, 4-chloro-, ethyl ester: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.852; (4)ACD/LogD (pH 7.4): 1.852; (5)ACD/BCF (pH 5.5): 15.049; (6)ACD/BCF (pH 7.4): 15.049; (7)ACD/KOC (pH 5.5): 242.37; (8)ACD/KOC (pH 7.4): 242.371; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.525; (12)Molar Refractivity: 45.645 cm3; (13)Molar Volume: 149.007 cm3; (14)Surface Tension: 43.16 dyne/cm; (15)Density: 1.246 g/cm3; (16)Flash Point: 122.27 °C; (17)Enthalpy of Vaporization: 51.719 kJ/mol; (18)Boiling Point: 278.561 °C at 760 mmHg; (19)Vapour Pressure: 0.004 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1cc(ccn1)Cl
(2)InChI: InChI=1/C8H8ClNO2/c1-2-12-8(11)7-5-6(9)3-4-10-7/h3-5H,2H2,1H3
(3)InChIKey: MXEIFGRJRCYUDJ-UHFFFAOYAG

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