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604813-07-2

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Basic Information
CAS No.: 604813-07-2
Name: N-ETHYL-4-CHLORO-PYRIDINE-2-CARBOXAMIDE
Article Data: 4
Molecular Structure:
Molecular Structure of 604813-07-2 (N-ETHYL-4-CHLORO-PYRIDINE-2-CARBOXAMIDE)
Formula: C8H9ClN2O
Molecular Weight: 184.625
Synonyms: 4-Chloro-N-ethyl-2-pyridinecarboxamide;
Density: 1.218 g/cm2
Boiling Point: 328 °C at 760 mmHg
Flash Point: 152.1 °C
PSA: 41.99000
LogP: 1.87560
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Specification

The 2-Pyridinecarboxamide,4-chloro-N-ethyl- is an organic compound with the formula C8H9ClN2O. The systematic name of this chemical is 4-Chloro-N-ethylpyridine-2-carboxamide. With the CAS registry number 604813-07-2, it is also named as N-Ethyl-4-chloro-pyridine-2-carboxamide. The product's category is Amide. Besides, its molecular weight is 184.6229.

The physical properties of 2-Pyridinecarboxamide,4-chloro-N-ethyl- are: (1)ACD/LogP: 1.01; (2)ACD/LogD (pH 5.5): 1.01; (3)ACD/LogD (pH 7.4): 1.01; (4)ACD/BCF (pH 5.5): 3.44; (5)ACD/BCF (pH 7.4): 3.44; (6)ACD/KOC (pH 5.5): 84.26; (7)ACD/KOC (pH 7.4): 84.26; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 41.99 Å2; (12)Index of Refraction: 1.539; (13)Molar Refractivity: 47.49 cm3; (14)Molar Volume: 151.4 cm3; (15)Polarizability: 18.82×10-24 cm3; (16)Surface Tension: 44 dyne/cm; (17)Density: 1.218 g/cm3; (18)Flash Point: 152.1 °C; (19)Enthalpy of Vaporization: 57.03 kJ/mol; (20)Boiling Point: 328 °C at 760 mmHg; (21)Vapour Pressure: 0.000195 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccnc(c1)C(=O)NCC
(2)InChI: InChI=1/C8H9ClN2O/c1-2-10-8(12)7-5-6(9)3-4-11-7/h3-5H,2H2,1H3,(H,10,12)
(3)InChIKey: KBQBJOVQVQXLPO-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H9ClN2O/c1-2-10-8(12)7-5-6(9)3-4-11-7/h3-5H,2H2,1H3,(H,10,12)
(5)Std. InChIKey: KBQBJOVQVQXLPO-UHFFFAOYSA-N