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Name |
Potassium 1,2,3,6-tetrahydro-5-nitro-2,6-dioxopyrimidine-4-carboxylate |
EINECS | 265-891-2 |
CAS No. | 65717-13-7 | Density | N/A |
PSA | 151.67000 | LogP | -2.14190 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H2KN3O6 | Boiling Point | N/A |
Molecular Weight | 239.186 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-5-nitro-2,6-dioxo-, monopotassium salt (9CI); |
The Potassium 1,2,3,6-tetrahydro-5-nitro-2,6-dioxopyrimidine-4-carboxylate with its cas register number is 65717-13-7. It also can be called as 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-5-nitro-2,6-dioxo-, potassium salt (1:1) and the IUPAC Name about this chemical is potassium 5-nitro-2,4-dioxo-1H-pyrimidine-6-carboxylate.
Physical properties about Potassium 1,2,3,6-tetrahydro-5-nitro-2,6-dioxopyrimidine-4-carboxylate are: (1)ACD/LogP: -2.17; (2)ACD/LogD (pH 5.5): -6.33; (3)ACD/LogD (pH 7.4): -6.9; (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: 9; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 123.74Å2.
Uses of Potassium 1,2,3,6-tetrahydro-5-nitro-2,6-dioxopyrimidine-4-carboxylate: it can be used to produce 5-nitro-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid ethyl ester with chloroacetonitrile at Heating. It will need reagent conc. H2SO4 with reaction time of 10 hour(s). The yield is about 98%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1(=C(NC(=O)NC1=O)C(=O)[O-])[N+](=O)[O-].[K+]
(2)InChI: InChI=1S/C5H3N3O6.K/c9-3-2(8(13)14)1(4(10)11)6-5(12)7-3;/h(H,10,11)(H2,6,7,9,12);/q;+1/p-1
(3)InChIKey: VLUWZLLGDFXCTJ-UHFFFAOYSA-M