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Name |
2,4(1H,3H)-Pyrimidinedione,1-methyl-5-nitro- |
EINECS | N/A |
CAS No. | 28495-88-7 | Density | 1.59 g/cm3 |
PSA | 100.68000 | LogP | -0.49500 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H5N3O4 | Boiling Point | 313 °C at 760 mmHg |
Molecular Weight | 171.112 | Flash Point | 143.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Uracil,1-methyl-5-nitro- (7CI,8CI);1-Methyl-5-nitrouracil;5-Nitro-1-methyluracil;N1-Methyl-5-nitrouracil; |
Article Data | 1 |
The CAS registry number of 2,4(1H,3H)-Pyrimidinedione,1-methyl-5-nitro- is 28495-88-7. This chemical's molecular formula is C5H5N3O4 and molecular weight is 171.1109. Its systematic name is called 1-methyl-5-nitropyrimidine-2,4(1H,3H)-dione.
Physical properties of 2,4(1H,3H)-Pyrimidinedione,1-methyl-5-nitro-: (1)ACD/LogP: -1.69; (2)ACD/LogD (pH 5.5): -1.92; (3)ACD/LogD (pH 7.4): -3.26; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.67; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.598; (12)Molar Refractivity: 36.63 cm3; (13)Molar Volume: 107.2 cm3; (14)Surface Tension: 68.2 dyne/cm; (15)Density: 1.59 g/cm3; (16)Flash Point: 143.1 °C; (17)Enthalpy of Vaporization: 64.24 kJ/mol; (18)Boiling Point: 313 °C at 760 mmHg; (19)Vapour Pressure: 4.45E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C(=C/N(C(=O)N1)C)[N+]([O-])=O
(2)InChI: InChI=1/C5H5N3O4/c1-7-2-3(8(11)12)4(9)6-5(7)10/h2H,1H3,(H,6,9,10)
(3)InChIKey: JTVBCXIVJCAUBK-UHFFFAOYAV