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CAS No.: | 243835-70-3 |
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Name: | 6-CHLOROPYRIDINE-3,4-DICARBOXYLIC ACID |
Molecular Structure: | |
Formula: | C7H4ClNO4 |
Molecular Weight: | 201.56 |
Synonyms: | 3,4-Pyridinedicarboxylicacid,6-chloro |
Density: | 1.684 g/cm3 |
Boiling Point: | 539.8 °C at 760 mmHg |
Flash Point: | 280.2 °C |
PSA: | 87.49000 |
LogP: | 1.13140 |
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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