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

Name
1-METHYL-5-NITROURACIL
EINECS
CAS No. 28495-88-7
Article Data1
CAS DataBase
Density 1.59 g/cm³
Solubility
Melting Point
Formula C₅H₅N₃O₄
Boiling Point 313 °C at 760 mmHg
Molecular Weight 171.112
Flash Point 143.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Uracil,1-methyl-5-nitro- (7CI,8CI);1-Methyl-5-nitrouracil;5-Nitro-1-methyluracil;N1-Methyl-5-nitrouracil;
PSA 100.68000
LogP -0.49500

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

Product Name

1-METHYL-5-NITROURACIL

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

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