Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Nitrodipicolinic acid |
EINECS | N/A |
CAS No. | 63897-10-9 | Density | 1.774 g/cm3 |
PSA | 133.31000 | LogP | 0.90940 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H4N2O6 | Boiling Point | 527.7 °C at 760 mmHg |
Molecular Weight | 212.12 | Flash Point | 272.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-nitropyridine-2,6-dicarboxylic acid; |
Article Data | 3 |
The CAS register number of 4-Nitrodipicolinic acid is 63897-10-9. It also can be called as 4-Nitro-2,6-pyridinedicarboxylic acid and the systematic name about this chemical is 3-nitropyridine-2,6-dicarboxylic acid. The molecular formula about this chemical is C7H4N2O6 and the molecular weight is 212.12.
Physical properties about 4-Nitrodipicolinic acid are: (1)ACD/LogP: -0.80; (2)ACD/LogD (pH 5.5): -4.94; (3)ACD/LogD (pH 7.4): -4.95; (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: 8; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 111.31Å2; (12)Index of Refraction: 1.671; (13)Molar Refractivity: 44.74 cm3; (14)Molar Volume: 119.5 cm3; (15)Polarizability: 17.74x10-24cm3; (16)Surface Tension: 103.3 dyne/cm; (17)Enthalpy of Vaporization: 84.45 kJ/mol; (18)Boiling Point: 527.7 °C at 760 mmHg; (19)Vapour Pressure: 5.8E-12 mmHg at 25°C.
Uses of 4-Nitrodipicolinic acid: it can be used to produce 4-nitro-2,6-pyridinedicarbonyl chloride. This reaction will need reagent SOCl2, dimethylformamide. The yield is about 61%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1nc(ccc1[N+]([O-])=O)C(=O)O
(2)InChI: InChI=1/C7H4N2O6/c10-6(11)3-1-2-4(9(14)15)5(8-3)7(12)13/h1-2H,(H,10,11)(H,12,13)
(3)InChIKey: NZEUUFGQGLSAOL-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C7H4N2O6/c10-6(11)3-1-2-4(9(14)15)5(8-3)7(12)13/h1-2H,(H,10,11)(H,12,13)
(5)Std. InChIKey: NZEUUFGQGLSAOL-UHFFFAOYSA-N