5-Nitro-2(1H)-pyrimidinone

Basic Information

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CAS Number

3264-10-6

Molecular Formula

C4H3N3O3

Molecular Weight

141.09 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

Boiling Point

440.6°C at 760 mmHg

Density

1.75

Flash Point

220.3 °C

Refractive Index

1.699

SMILES

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

InChI

InChI=1S/C4H3N3O3/c8-4-5-1-3(2-6-4)7(9)10/h1-2H,(H,5,6,8)

InChIKey

ZNNRVSOVVLYQBV-UHFFFAOYSA-N

LogP

0.61360

Complexity

237

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

5-nitro-1H-pyrimidin-2-one
BCP23080
FT-0645675
FT-0653958
MFCD09028958
5-NITRO-2-HYDROXYPYRIMIDINE
AC-26468
FT-0657893
2(1H)-Pyrimidinone, 5-nitro-
5-NITRO-PYRIMIDIN-2-OL
GS-6552
CS-0030754
2-Hydroxy-5-nitropyrimidine;5-nitro-1H-pyrimidin-2-one;2-Hydroxy-5-nitropyrimidine
ZNNRVSOVVLYQBV-UHFFFAOYSA-N
5-nitropyrimidin-2-ol
NSC528723
3264-10-6
A847715
AKOS015856411
5-NITRO-2-PYRIMIDONE
EN300-52822
Q-103423
SCHEMBL308522
5-nitro-1,2-dihydropyrimidin-2-one
2-Hydroxy-5-nitropyrimidine
NSC-528723
AKOS006238317
PB18938
DTXSID40326473
P10491
2-Hydroxy-5-nitro-pyrimidin

MDL Number

MFCD09028958

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 5-Nitro-2(1H)-pyrimidinone (CAS: 3264-10-6)?

5-Nitro-2(1H)-pyrimidinone is a crystalline solid with a molecular weight of approximately 161.06 g/mol. It has a high solubility in polar solvents like water and ethanol. Chemically, it is moderately reactive, showing good stability but susceptible to hydrolysis under basic conditions. It is an important intermediate in the synthesis of various bioactive compounds.

How is 5-Nitro-2(1H)-pyrimidinone (CAS: 3264-10-6) typically synthesized?

5-Nitro-2(1H)-pyrimidinone can be synthesized via nitration of 2(1H)-pyrimidinone. Commonly, this involves treating pyrimidinone with nitric acid in the presence of an acid catalyst such as sulfuric acid. The reaction is carried out at room temperature, and yields up to 85% are achievable. High selectivity is maintained under these conditions.

What industries use 5-Nitro-2(1H)-pyrimidinone (CAS: 3264-10-6)?

5-Nitro-2(1H)-pyrimidinone is primarily used in the pharmaceutical industry for the synthesis of drug intermediates and as a reagent in organic chemistry. It also finds applications in the polymer industry for modifying polymer properties and in sensor technology for its reactivity to certain analytes.

What precautions should be taken when handling 5-Nitro-2(1H)-pyrimidinone (CAS: 3264-10-6)?

Proper handling of 5-Nitro-2(1H)-pyrimidinone requires the use of personal protective equipment (PPE) including gloves, goggles, and lab coats. Store it in a cool, dry place away from heat sources. Fume hoods should be used during handling to minimize exposure. In the case of spills, immediately clean up with appropriate absorbents and follow safety data sheet (SDS) guidelines for disposal.