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Ethyl 6-chloro-5-nitro-3-pyridinecarboxylate (171876-22-5)

Identification
Name:Ethyl 6-chloro-5-nitro-3-pyridinecarboxylate
Synonyms:3-pyridinecarboxylic acid, 6-chloro-5-nitro-, ethyl ester;Ethyl 6-chloro-5-nitronicotinate
CAS:171876-22-5
Molecular Formula: C8H7ClN2O4
Molecular Weight: 230.61
InChI: InChI=1/C8H7ClN2O4/c1-2-15-8(12)5-3-6(11(13)14)7(9)10-4-5/h3-4H,2H2,1H3
Molecular Structure: (C8H7ClN2O4) 3-pyridinecarboxylic acid, 6-chloro-5-nitro-, ethyl ester;Ethyl 6-chloro-5-nitronicotinate
Properties
Flash Point: 153.4°C
Boiling Point: 330°C at 760 mmHg
Density:1.433
Refractive index:1.562
Specification:

The cas register number of Ethyl 6-chloro-5-nitro-3-pyridinecarboxylate is 171876-22-5. The Systematic name about this chemical is ethyl 6-chloro-5-nitropyridine-3-carboxylate.

Physical properties about Ethyl 6-chloro-5-nitro-3-pyridinecarboxylate are: (1)ACD/LogP: 1.58; (2)#H bond acceptors: 6; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 85.01Å2; (5)Index of Refraction: 1.562; (6)Molar Refractivity: 52.19 cm3; (7)Molar Volume: 160.8 cm3; (8)Polarizability: 20.69x10-24cm3; (9)Surface Tension: 54.6 dyne/cm; (10)Enthalpy of Vaporization: 57.26 kJ/mol; (11)Boiling Point: 330 °C at 760 mmHg; (12)Vapour Pressure: 0.000171 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(cnc1Cl)C(=O)OCC
(2)InChI: InChI=1/C8H7ClN2O4/c1-2-15-8(12)5-3-6(11(13)14)7(9)10-4-5/h3-4H,2H2,1H3 
(3)InChIKey: RJGYARAKIVLQAQ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H7ClN2O4/c1-2-15-8(12)5-3-6(11(13)14)7(9)10-4-5/h3-4H,2H2,1H3 
(5)Std. InChIKey: RJGYARAKIVLQAQ-UHFFFAOYSA-N

Flash Point: 153.4°C
Safety Data
 

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