四氧嘧啶一水合物

Description

Alloxan monohydrate · CAS 2244-11-3 · C4H2N2O4. UNII 6SW5YHA5NG. Melting Point: 256 °C (decomposes); Melting Point: 256 °C; Density: 1.07.

Identification

CAS Registry Number	2244-11-3
PubChem CID	5781
Molecular formula	C4H2N2O4
IUPAC name	1,3-diazinane-2,4,5,6-tetrone
UNII (FDA)	6SW5YHA5NG

Computed Descriptors

Molecular Weight	142.07
XLogP3	-1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	142.00145655
Monoisotopic Mass	142.00145655
Topological Polar Surface Area	92.3
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Melting Point	256 °C (decomposes)
Melting Point	256 °C
Density	1.07
LogP	log Kow = -1.84
LogP	-1.84
LogP	-1.86
Dissociation Constants	pKa = 6.63 at 25 °C
Other Experimental Properties	Turns pink at 230 °C

Physical description & handling notes

• Solid; [Merck Index] Tetrahydrate: White solid; [Reidel-de Haen MSDS]
• Solid
• Orthorhombic crystals from anhydrous acetone or glacial acetic acid or by sublimation in vacuo. Turns pink at 230 °C ... Hot aqueous solutions are yellow and become colorless on cooling
• Sublimes
• Sol in benzene
• Soluble in acetone, alcohol, methanol, glacial acetic acid; slightly soluble in chloroform, petroleum ether, toluene, ethyl acetate and acetic anhydride. Insoluble in ether.

Documented Uses

• Used in organic synthesis and to induce diabetes in experimental animals; [Merck Index] Used in cosmetics; [Hawley]
• Alloxan is a well-known and universally used agent for evoking experimental diabetes through its toxic effect on the B cells of the Langerhans islets.
• In production of diabetes in experimental animals; in nutrition experiments; in organic synthesis
• The best synthetic route to alloxan is direct oxidation of barbituric acid with chromium trioxide.
• Preparation by direct oxidation of uric acid
• 2,4,5,6(1H,3H)-Pyrimidinetetrone: ACTIVE

Synonyms

Alloxan; 50-71-5; 2,4,5,6(1H,3H)-Pyrimidinetetrone; Mesoxalylurea; Mesoxalylcarbamide; 1,3-diazinane-2,4,5,6-tetrone; ALLOXANE; Pyrimidinetetrone; Alloxan 7169; 2,4,5,6-Tetraoxohexahydropyrimidine; NSC 7169; 5,6-dioxouracil; 6SW5YHA5NG; ALLOXANUM; DTXSID5044946; NSC-7169

Frequently Asked Questions

What are the CAS number and molecular formula of Alloxan monohydrate?

CAS 2244-11-3; molecular formula C4H2N2O4; molecular weight — g/mol.

What other names is Alloxan monohydrate known by?

Alloxan, 50-71-5, 2,4,5,6(1H,3H)-Pyrimidinetetrone, Mesoxalylurea, Mesoxalylcarbamide, 1,3-diazinane-2,4,5,6-tetrone.

What are the key physical properties of Alloxan monohydrate?

Melting Point: 256 °C (decomposes); Melting Point: 256 °C; Density: 1.07; LogP: log Kow = -1.84.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.