5-Nitro-2,4(1H,3H)-pyrimidinedione

Basic Information

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CAS Number

611-08-5

Molecular Formula

C4H3N3O4

Molecular Weight

157.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

>300 °C

Boiling Point

453.3°C at 760 mmHg

Density

1.8278 (rough estimate)

Flash Point

227.9℃

Refractive Index

1.5000 (estimate)

SMILES

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C1=C(C(=O)NC(=O)N1)[N+](=O)[O-]

InChI

InChI=1S/C4H3N3O4/c8-3-2(7(10)11)1-5-4(9)6-3/h1H,(H2,5,6,8,9)

InChIKey

TUARVSWVPPVUGS-UHFFFAOYSA-N

LogP

-0.50540

Complexity

263

Safety Information

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GHS Hazard Pictograms

H303

Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

AKOS002337367
NSC 9790
5-Nitrouracil, 97%
EN300-73335
2,3H)-Pyrimidinedione, 5-nitro-
NS00034571
5-Nitro-2.6-dioxypyrimidin
SR-01000390728-2
F0017-1804
Uracil, 5-nitro-
CHEMBL323780
5-nitro-1,2,3,4-tetrahydropyrimidine-2,4-dione
AKOS002722690
CS-W017981
NSC-9790
SY001470
Q-200549
SCHEMBL190925
AM83914
FT-0620726
MFCD00006021
4-hydroxy-5-nitropyrimidin-2(1H)-one
Q27128575
AC-907/30002012
SR-01000390728
5-Nitro-2,4-dihydroxypyrimidine
5-Nitrouracil
5-nitro-1H-pyrimidine-2,4-dione
SCHEMBL5780473
NSC9790
Epitope ID:138112

MDL Number

MFCD00006021

Customs Code

2933599090

FAQ

What is 5-Nitro-2,4(1H,3H)-pyrimidinedione (CAS: 611-08-5)?

5-Nitro-2,4(1H,3H)-pyrimidinedione, also known as 5-nitro-2,4-pyrimidinedione, is a heterocyclic organic compound with the chemical formula C4H4N2O3. It contains two nitro groups and is characterized by its pyrimidine ring structure. The compound is commonly used as an intermediate in the synthesis of various pharmaceutical and agrochemical products.

What are the main uses of 5-Nitro-2,4(1H,3H)-pyrimidinedione (CAS: 611-08-5)?

5-Nitro-2,4(1H,3H)-pyrimidinedione is primarily used in the pharmaceutical industry as a building block for the development of drugs, particularly in the synthesis of nucleoside analogs and antiviral agents. It also finds applications in research for organic synthesis and in the production of agrochemicals due to its reactivity and structural versatility.

Is 5-Nitro-2,4(1H,3H)-pyrimidinedione (CAS: 611-08-5) safe?

5-Nitro-2,4(1H,3H)-pyrimidinedione is considered toxic and should be handled with care. It is classified as a hazardous chemical, and exposure may cause irritation or other health effects. Protective measures such as gloves, goggles, and proper ventilation are recommended. Safety data sheets (SDS) should be consulted for detailed handling and disposal guidelines.

How should 5-Nitro-2,4(1H,3H)-pyrimidinedione (CAS: 611-08-5) be stored?

5-Nitro-2,4(1H,3H)-pyrimidinedione should be stored in a cool, dry, and dark place, away from moisture and incompatible substances. It is typically kept in airtight containers to prevent degradation. Storage conditions should maintain a temperature below 25°C and avoid exposure to light to ensure stability and prolong shelf life.