4,6-Pyrimidinediol

Basic Information

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CAS Number

1193-24-4

Molecular Formula

C4H4N2O2

Molecular Weight

112.09 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

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

>300 °C

Boiling Point

209.98°C (rough estimate)

Water Solubility

2.5 g/L (20 º C)

Flash Point

358.5 °C at 760 mmHg

Solubility

2.5 g/L (20° C)

Refractive Index

1.4610 (estimate)

SMILES

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C1=C(N=CNC1=O)O

InChI

InChI=1S/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8)

InChIKey

DUFGYCAXVIUXIP-UHFFFAOYSA-N

LogP

-0.5245000000000002

Topological Polar Surface Area

65.97999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

171

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

SMR000368133
PS-3433
NSC-22838
AB-323/25048196
4,6-dihydroxy pyrimidine
EC 214-772-3
CHEBI:184008
EINECS 214-772-3
6-hydroxy-3,4-dihydropyrimidin-4-one
W-108518
4,6-Pyrimidinediol
AM20080136
6-Hydroxy-4(1H)-pyrimidinone
F0176-0211
SCHEMBL8088423
4,6-DIHYDROXYPYRIMIDINE
HY-W015902
Z56766633
HMS2744P17
4(3H)-Pyrimidinone, 6-hydroxy-
AC-2511
D1821
HYDROXY-4(1H)-PYRIMIDINONE, 6-
Q27265097
CS-W016618
SB57283
6L93V0S662
AKOS003237466
DUFGYCAXVIUXIP-UHFFFAOYSA-
6-Hydroxy-1H-pyrimidin-4-one
6-Hydroxy-4-pyrimidinone

MDL Number

MFCD00016733

Customs Code

29335995

FAQ

What is 4,6-Pyrimidinediol (CAS: 1193-24-4)?

4,6-Pyrimidinediol (CAS: 1193-24-4) is a diol derivative of pyrimidine, a heterocyclic aromatic organic compound. Its chemical formula is C5H5N2O2, and it appears as a white crystalline solid. It is highly soluble in water and has a molecular weight of 123.11 g/mol. The compound is known for its reactivity and is often used as an intermediate in organic synthesis and pharmaceutical research.

What are the main uses of 4,6-Pyrimidinediol (CAS: 1193-24-4)?

4,6-Pyrimidinediol (CAS: 1193-24-4) is primarily used in pharmaceuticals as a building block for synthesizing nucleoside analogs and antiviral agents. It also serves as an intermediate in the production of various organic compounds. In research, it is employed to study chemical reactivity and biological activity. Additionally, it has applications in industrial chemistry for developing functional materials and specialty chemicals.

Is 4,6-Pyrimidinediol (CAS: 1193-24-4) safe?

4,6-Pyrimidinediol (CAS: 1193-24-4) is generally considered safe when handled properly. However, it may cause mild eye and skin irritation. Safety data sheets (SDS) recommend using protective gloves, goggles, and ensuring adequate ventilation. While it is not classified as highly toxic, adherence to standard chemical safety protocols is essential to minimize risks during handling and disposal.

How should 4,6-Pyrimidinediol (CAS: 1193-24-4) be stored?

4,6-Pyrimidinediol (CAS: 1193-24-4) should be stored in a tightly sealed container in a cool, dry place, away from light. It is stable at temperatures between 2-8°C and should be protected from moisture to prevent degradation. Proper storage ensures its chemical integrity and prolongs shelf life, making it suitable for both laboratory and industrial applications.