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6-Chloropyridine-3,4-dicarboxylic acid

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Name

6-Chloropyridine-3,4-dicarboxylic acid

EINECS N/A
CAS No. 243835-70-3 Density 1.684 g/cm3
PSA 87.49000 LogP 1.13140
Solubility N/A Melting Point N/A
Formula C7H4ClNO4 Boiling Point 539.8 °C at 760 mmHg
Molecular Weight 201.56 Flash Point 280.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 243835-70-3 (6-CHLOROPYRIDINE-3,4-DICARBOXYLIC ACID) Hazard Symbols N/A
Synonyms

3,4-Pyridinedicarboxylicacid,6-chloro

 

6-Chloropyridine-3,4-dicarboxylic acid Specification

The 3,4-Pyridinedicarboxylicacid, 6-chloro-, with the CAS registry number 243835-70-3, belongs to the product category of Pyridine Series. This chemical's molecular formula is C7H4ClNO4 and molecular weight is 201.564. Its systematic name is called 6-chloropyridine-3,4-dicarboxylic acid. 

Physical properties of 3,4-Pyridinedicarboxylicacid, 6-chloro-: (1)ACD/LogP: 0.44; (2)ACD/LogD (pH 5.5): -3.37; (3)ACD/LogD (pH 7.4): -3.7; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.639; (12)Molar Refractivity: 43.09 cm3; (13)Molar Volume: 119.6 cm3; (14)Surface Tension: 83.3 dyne/cm; (15)Density: 1.684 g/cm3; (16)Flash Point: 280.2 °C; (17)Enthalpy of Vaporization: 86.01 kJ/mol; (18)Boiling Point: 539.8 °C at 760 mmHg; (19)Vapour Pressure: 1.75E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(cnc(Cl)c1)C(=O)O\
(2)InChI: InChI=1/C7H4ClNO4/c8-5-1-3(6(10)11)4(2-9-5)7(12)13/h1-2H,(H,10,11)(H,12,13)
(3)InChIKey: LVQPMCFUDXELIS-UHFFFAOYAU

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