6-Methyl-5-nitropyrimidine-2,4(1H,3H)-dione

Basic Information

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CAS Number

16632-21-6

Molecular Formula

C5H5N3O4

Molecular Weight

171.11 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

Pale-yellow to Yellow-brown Solid

Melting Point

>300°C

Boiling Point

Density

1.58

Water Solubility

Soluble in DMF, DMSO, hot methanol and hot water.

Flash Point

215.3℃

Refractive Index

1.583

SMILES

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CC1=C(C(=O)NC(=O)N1)[N+](=O)[O-]

InChI

InChI=1S/C5H5N3O4/c1-2-3(8(11)12)4(9)7-5(10)6-2/h1H3,(H2,6,7,9,10)

InChIKey

LIVYMRJSNFHYEN-UHFFFAOYSA-N

LogP

0.62760

Complexity

300

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

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

Synonyms & References

English

AM803296
NSC 40201
Uracil, 6-methyl-5-nitro-
CHEMBL3275229
EN300-52924
SB57730
NS00025441
SB57463
Maybridge1_006298
2,4(1H,3H)-Pyrimidinedione, 6-methyl-5-nitro-
6-Methyl-5-nitrouracil
FT-0600942
16632-21-6
5-Nitro-6-methyluracil
2,3H)-Pyrimidinedione, 6-methyl-5-nitro-
Z111423174
6-METHYL-5-NITROPYRIMIDINE-2,4-DIONE
AC-907/30003030
5-nitro-6-methyl-2,4-pyrimidinediol
HMS559G06
NSC-40201
6-Methyl-5-nitro-2,4(1H,3H)-pyrimidinedione #
EU-0000846
AKOS003621341
2,4-dihydroxy-6-methyl-5-*nitropyrimidine
SR-01000394711
W-107926
AKOS000416102
SR-01000394711-1
MFCD00051201
6-methyl-5-nitro-1,2,3,4-tetrahydropyrimidine-2,4-dione

MDL Number

MFCD00051201

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 6-Methyl-5-nitropyrimidine-2,4(1H,3H)-dione (CAS: 16632-21-6)?

6-Methyl-5-nitropyrimidine-2,4(1H,3H)-dione (CAS: 16632-21-6) is a solid with a crystalline form. Its molecular weight is approximately 222.11 g/mol. It has low water solubility but is soluble in common organic solvents like methanol and ethanol. This compound is known for its reactivity, particularly towards nucleophilic substitution reactions and its ability to form complexes with metals.

How is 6-Methyl-5-nitropyrimidine-2,4(1H,3H)-dione (CAS: 16632-21-6) typically synthesized?

6-Methyl-5-nitropyrimidine-2,4(1H,3H)-dione can be synthesized via a multi-step process starting with the nitration of pyrimidine derivatives. Commonly, the nitration is performed using nitric acid in the presence of sulfuric acid as a catalyst. The final step involves the addition of methyl groups using methanol and an acid catalyst. The overall reaction is highly selective and yields up to 90% of the desired product.

What industries use 6-Methyl-5-nitropyrimidine-2,4(1H,3H)-dione (CAS: 16632-21-6)?

6-Methyl-5-nitropyrimidine-2,4(1H,3H)-dione (CAS: 16632-21-6) is primarily used in the pharmaceutical industry for the synthesis of various medicinal compounds. It is also utilized in the development of sensors for detecting specific chemicals and in the production of certain types of polymers. Additionally, it plays a role in semiconductor manufacturing due to its unique electronic properties.

What precautions should be taken when handling 6-Methyl-5-nitropyrimidine-2,4(1H,3H)-dione (CAS: 16632-21-6)?

When handling 6-Methyl-5-nitropyrimidine-2,4(1H,3H)-dione (CAS: 16632-21-6), it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight and sources of ignition. Always use a fume hood during handling to minimize inhalation risks. In case of a spill, immediately clean it up using appropriate chemical spill kits and refer to the Safety Data Sheet (SDS) for further guidance.