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6209-44-5

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Basic Information
CAS No.: 6209-44-5
Name: 5-NITROBARBITURIC ACID TRIHYDRATE
Molecular Structure:
Molecular Structure of 6209-44-5 (5-NITROBARBITURIC ACID TRIHYDRATE)
Formula: C4H9N3O8
Molecular Weight: 227.13
Synonyms: 5-Nitro barbituricacid;5-Nitropyrimidine-2,4,6(1H,3H,5H)-trione trihydrate;
Melting Point: 183 °C (dec.)(lit.)
Appearance: white powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 148.78000
LogP: -1.01440
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  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-nitro-, hydrate (1:3)

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  • 5-Nitrobarbituric Acid Trihydrate CAS No.6209-44-5

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Specification

The 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-nitro-, hydrate (1:3), with the CAS registry number 6209-44-5, is also known as 5-Nitropyrimidine-2,4,6(1H,3H,5H)-trione trihydrate. This chemical's molecular formula is C4H9N3O8 and molecular weight is 227.13. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides, heat and fire.

Computational chemistry data of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-nitro-, hydrate (1:3) are: (1)XLogP: 6.5; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 5; (4)Rotatable Bond Count: 2; (5)Topological Polar Surface Area: 83.3; (6)Heavy Atom Count: 31; (7)Formal Charge: 0; (8)Complexity: 742; (9)Isotope Atom Count: 0; (10)Defined Atom StereoCenter Count: 0; (11)Undefined Atom StereoCenter Count: 0; (12)Defined Bond StereoCenter Count: 0; (13)Undefined Bond StereoCenter Count: 0; (14)Covalently-Bonded Unit Count: 1.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.