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5-Nitro-2,4,6(1H,3H,5H)-Pyrimidinetrione
[CAS# 209529-81-7]

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Identification
Name 5-Nitro-2,4,6(1H,3H,5H)-Pyrimidinetrione
Synonyms 5-nitropyrimidine-2,4,6(1H,3H,5H)-trione; #28176-10-5; 2,4,6 (1H,3H,5H)-Pyrimidinetrione, 5-nitro-
Molecular Structure CAS#: 209529-81-7, 5-Nitro-2,4,6(1H,3H,5H)-Pyrimidinetrione
Molecular Formula C4H3N3O5
Molecular Weight 173.08
CAS Registry Number 209529-81-7
SMILES C1(C(=O)NC(=O)NC1=O)[N+](=O)[O-]
InChI 1S/C4H3N3O5/c8-2-1(7(11)12)3(9)6-4(10)5-2/h1H,(H2,5,6,8,9,10)
InChIKey ABICJYZKIYUWEE-UHFFFAOYSA-N
Properties
Density 1.8±0.1g/cm3 (Cal.)
Melting point 182-184°C (Expl.)
Refractive index 1.581 (Cal.)
Safety Data
Safety Code S26;S37  Details
Risk Code R36/37/38  Details
Hazard Symbol symbol  X  Details
Safety Description WARNING: Irritates lungs, eyes, skin
IRRITANT
SDS Available
References
(1) Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493
Market Analysis Reports
List of Reports Available for 5-Nitro-2,4,6(1H,3H,5H)-Pyrimidinetrione
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