5-Nitro-6-methyluracil

The 2,4(1H,3H)-Pyrimidinedione,6-methyl-5-nitro-, with the CAS registry number 16632-21-6, is also known as 6-Methyl-5-nitrouracil. It belongs to the product categories of Heterocycles; Nucleotides and Nucleosides; Pyrimidines; Bases & Related Reagents; Nucleotides. Its EINECS registry number is 240-688-1. This chemical's molecular formula is C₅H₅N₃O₄ and molecular weight is 171.11. Its IUPAC name is called 2,4-Dihydroxy-6-methyl-5-nitropyrimidine. This chemical is light yellow crystalline solid which can be used as a synthetic intermediat.

Physical properties of 2,4(1H,3H)-Pyrimidinedione,6-methyl-5-nitro-: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 3.48; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 7; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Index of Refraction: 1.583; (9)Molar Refractivity: 36.175 cm3; (10)Molar Volume: 108.262 cm3 ; (11)Surface Tension: 64.212 dyne/cm; (12)Density: 1.581 g/cm3.

Preparation: this chemical can be prepared by 6-methyl-1H-pyrimidine-2,4-dione. This reaction will need reagent HNO₃ and H₂SO₄. The reaction temperature is 30 °C.

Uses of 2,4(1H,3H)-Pyrimidinedione,6-methyl-5-nitro-: it can be used to produce 5-nitro-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid. This reaction will need reagent HNO₃.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. In addition, it is irritating to respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=O)NC(=O)N1)[N+](=O)[O-]
(2)InChI: InChI=1S/C5H5N3O4/c1-2-3(8(11)12)4(9)7-5(10)6-2/h1H3,(H2,6,7,9,10)
(3)InChIKey: LIVYMRJSNFHYEN-UHFFFAOYSA-N