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2,4(1H,3H)-Pyrimidinedione,1-methyl-5-nitro-

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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 Molecular Structure of 28495-88-7 (1-METHYL-5-NITROURACIL) 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

2,4(1H,3H)-Pyrimidinedione,1-methyl-5-nitro- Specification

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

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