2,4,5,6(1H,3H)-Pyrimidinetetrone hydrate (1:1)

Basic Information

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CAS Number

2244-11-3

Molecular Formula

C4H4N2O5

Molecular Weight

160.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

255 °C (dec.)

Boiling Point

464° F (decomposes) (NTP, 1992)

Density

1.6810

Water Solubility

Soluble in water, ethanol, acetone, glacial acetic acid and methanol. Slightly soluble in chloroform, petroleum ether, toluene, ethyl acetate and acetic anhydride. Insoluble in ether.

Flash Point

180 °C

Solubility

H2O: may be hazy yellow

SMILES

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C1(=O)C(=O)NC(=O)NC1=O.O

InChI

InChI=1S/C4H2N2O4.H2O/c7-1-2(8)5-4(10)6-3(1)9;/h(H2,5,6,8,9,10);1H2

InChIKey

DSXMTJRUNLATRP-UHFFFAOYSA-N

LogP

-2.9032000000000004

Topological Polar Surface Area

123.84 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

222

Safety Information

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GHS Hazard Pictograms

H302

H312

H332

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H332 Harmful if inhaled
Acute toxicity, inhalation

Sensitiveness

Air Sensitive

Synonyms & References

English

ALLOXAN MONOHYDRATE
HY-W017227
AKOS000121974
2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate
EN300-30005
Pyrimidine-2,4,5,6(1H,3H)-tetraone hydrate
Pyrimidine-2,4,5,6(1H,3H)-tetraonehydrate
FT-0621990
C4H4N2O5
SCHEMBL344222
1,3-diazinane-2,4,5,6-tetrone;hydrate
D88229
Alloxan (hydrate)
2244-11-3
Pyrimidine-2,4,5,6(1H,3H)-tetraone monohydrate
DS-4661
5,6-Dioxyuracil
Alloxan, monohydrate
Alloxan monohydrate, 98%
2,4,5,6-Tetraoxohexahydropyrimidine hydrate
J-200193
1,3-diazinane-2,4,5,6-tetrone hydrate
DTXSID4074859
SB57531
Alloxan monohydrate, >=98.0% (TLC)
DSXMTJRUNLATRP-UHFFFAOYSA-N
Alloxan Monohydrate
1,3-dihydropyrimidine-2,4,5,6-tetraone,hydrate
2,4,5,6-(1H,3H)PyriMi-dinetetrone
2,4,5,6-TetraoxohexahydropyriMidine
2,4,5,6-Tetraoxypyrimidine

MDL Number

MFCD00149399

Customs Code

29335995

FAQ

What is 2,4,5,6(1H,3H)-Pyrimidinetetrone hydrate (CAS: 2244-11-3)?

2,4,5,6(1H,3H)-Pyrimidinetetrone hydrate (CAS: 2244-11-3) is a crystalline compound with the molecular formula C5H5N2·H2O. It is a white or off-white solid with a characteristic odor. This compound is known for its stability and reactivity in various chemical processes.

What are the main uses of 2,4,5,6(1H,3H)-Pyrimidinetetrone hydrate (CAS: 2244-11-3)?

2,4,5,6(1H,3H)-Pyrimidinetetrone hydrate (CAS: 2244-11-3) is used in pharmaceuticals as a precursor in the synthesis of pyrimidine-based drugs. It is also applied in the chemical industry for the production of dyes, pesticides, and other organic compounds. In research, it serves as a valuable reagent for studying pyrimidine chemistry.

Is 2,4,5,6(1H,3H)-Pyrimidinetetrone hydrate (CAS: 2244-11-3) safe?

2,4,5,6(1H,3H)-Pyrimidinetetrone hydrate (CAS: 2244-11-3) is generally considered safe when handled with proper precautions. However, it should be kept away from heat and open flames. Users should wear appropriate personal protective equipment (PPE) such as gloves and safety goggles during handling.

How should 2,4,5,6(1H,3H)-Pyrimidinetetrone hydrate (CAS: 2244-11-3) be stored?

2,4,5,6(1H,3H)-Pyrimidinetetrone hydrate (CAS: 2244-11-3) should be stored in a cool, dry place away from direct sunlight and heat sources. It is best kept in a tightly sealed container to maintain its stability. Ensure the storage area is well-ventilated and accessible only to authorized personnel.