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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 16723Generated: October 23, 2026

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

Alloxan99% · MESOXALYLUREA · Alloxan, 98.5% · 5,6-DIOXYURACIL · Urea monohydrate · ALLOXANE DIHYDRATE · ALLOXAN MONOHYDRATE · Alloxan Momohydrate

https://huagongshe.com/en/chemical/16723

2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate molecular structure

Identifiers & Physical Properties

CAS No.2244-11-3
Molecular formulaC4H2N2O4.H2O
Average molar mass160.09 g/mol
Monoisotopic mass160.01202123 g/mol
SMILESO.O=C1NC(=O)C(=O)C(=O)N1
InChIKeyDSXMTJRUNLATRP-UHFFFAOYSA-N
PubChem CID16723
EC No.607-078-0
DTXSIDDTXSID4074859

Chemical & Physical Properties

Topological polar surface area93.3
Hydrogen bond donors3
Hydrogen bond acceptors5
Rotatable bonds0
Heavy atoms11
Formal charge0
Complexity222
Melting point255 °C (dec.)(lit.)
Storage conditions2-8°C
SolubilityH2O: may be hazy yellowSoluble in water, ethanol, acetone, glacial acetic acid and methanol. Slightly soluble in chloroform, petroleum ether, toluene, ethyl acetate and acetic anhydride. Insoluble in ether.
Physical stateCrystalline Powder
ColorOff-white to beige-yellow
SensitivityAir Sensitive
Merck14,282
BRN5309394
InChIInChI=1S/C4H2N2O4.H2O/c7-1-2(8)5-4(10)6-3(1)9/h(H2,5,6,8,9,10)1H2
InChIKeyDSXMTJRUNLATRP-UHFFFAOYSA-N
SMILESO=C1C(NC(=O)NC1=O)=O.O
CAS DataBase Reference2244-11-3(CAS DataBase Reference)
FDA UNIIO2AAP9F8B6
EPA Substance Registry System2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate (2244-11-3)
UNSPSC Code12352100
NACRESNA.22
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302+H312+H332
GHS precautionary statementsP261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
Personal protective equipment (PPE)dust mask type N95 (US), Eyeshields, Gloves
Hazard symbolsXn,Xi
Risk statements (R)20/21/22-36/37/38
Safety statements (S)36-26-36/37
Water hazard class (WGK)3
RTECS numberUW0492000
TSCA inventory statusYes
Customs code29335995
Storage class11 - Combustible Solids
Hazard classAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral

Safety & Regulations

GHS classificationWarningH302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatory informationChemical: 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrateAlloxan: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (97.8%)
Personal protective equipment (PPE)dust mask type N95 (US), Eyeshields, Gloves
Water hazard class (WGK)3
TSCA inventory statusYes
RTECS numberUW0492000
Customs code29335995
Risk statements (R)20/21/22-36/37/38
Signal wordWarning
GHS pictogramGHS07
Hazard symbolsXn,Xi
Safety statements (S)36-26-36/37
Storage class11 - Combustible Solids
GHS hazard statementsH302+H312+H332
Hazard classAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
GHS precautionary statementsP261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312

Applications & Uses

Uses

specific cytotoxin (beta pacreatic cell)

Uses

Cytotoxic compound that causes oxidative base damage to nuclear DNAAlloxan monohydrate is used as a precursor to prepare purple dye murexide. It is also used in research models to induce diabetes and destroy beta cells. Further, it is a strong oxidizing agent and it forms a hemiacetal with its reduced reaction product dialuric acid.

Uses

A cytotoxic compound, Alloxan Monohydrate causes oxidative base damage to nuclear DNA.