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2244-11-3

Basic Information
CAS No.: 2244-11-3
Name: ALLOXAN MONOHYDRATE
Article Data: 1
Molecular Structure:
Molecular Structure of 2244-11-3 (ALLOXAN MONOHYDRATE)
Formula: C4H2N2O4.H2O
Molecular Weight: 160.086
Synonyms: 2,4,5,6(1H,3H)-Pyrimidinetetrone,monohydrate (9CI);
EINECS: 251-501-8
Density: 1.681g/cm3
Melting Point: 240 °C
Boiling Point: 374.1 °C at 760 mmHg
Flash Point: 180 °C
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.
Appearance: Off-white to beige-yellowish crystalline powder
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22
Safety: 36/37
PSA: 115.73000
LogP: -2.30910
Synthetic route
116138-07-9

N-(2-Ethyl-phenyl)-benzene-1,2-diamine

2244-11-3

alloxan monohydrate

116138-09-1

10-(2-Ethyl-phenyl)-10H-benzo[g]pteridine-2,4-dione

Conditions
ConditionsYield
With boric acid In acetic acid at 60℃; for 0.5h;83.3%
13021-18-6

1-(4'-methoxy-biphenyl-4-yl)-ethanone

2244-11-3

alloxan monohydrate

1416355-06-0

C19H16N2O6

Conditions
ConditionsYield
With acetic acid at 115℃; for 3h; Reflux;82%
2244-11-3

alloxan monohydrate

83085-94-3

4-acetyl-4'-(methylthio)<1,1'-biphenyl>

1416355-08-2

C19H16N2O5S

Conditions
ConditionsYield
With acetic acid at 115℃; for 3h; Reflux;80%

N-(4-acetylphenyl)-4-methoxybenzenesulfonamide

2244-11-3

alloxan monohydrate

N-(4-(2-(5-hydroxy-2,4,6-trioxohexahydropyrimidin-5-yl)acetyl)phenyl)-4-methoxybenzenesulfonamide

Conditions
ConditionsYield
With acetic acid at 115℃; for 3h;76%

C14H12N2O5S

2244-11-3

alloxan monohydrate

N-(4-(2-(5-hydroxy-2,4,6-trioxohexahydropyrimidin-5-yl)acetyl)phenyl)-3-nitrobenzenesulfonamide

Conditions
ConditionsYield
With acetic acid at 115℃; for 3h;74%
1088162-86-0

C15H12F3NO3S

2244-11-3

alloxan monohydrate

N-(4-(2-(5-hydroxy-2,4,6-trioxohexahydropyrimidin-5-yl)acetyl)phenyl)-4-(trifluoromethyl) benzenesulfonamide

Conditions
ConditionsYield
With acetic acid at 115℃; for 3h;73%
347320-93-8

N-(4-acetylphenyl)-4-fluorobenzenesulfonamide

2244-11-3

alloxan monohydrate

4-fluoro-N-(4-(2-(5-hydroxy-2,4,6-trioxohexahydropyrimidin-5 yl)acetyl)phenyl)benzenesulfonamide

Conditions
ConditionsYield
With acetic acid at 115℃; for 3h;72%
5317-94-2

4-(p-toluenesulfonylamino)acetophenone

2244-11-3

alloxan monohydrate

N-(4-(2-(5-hydroxy-2,4,6-trioxohexahydropyrimidin-5-yl)acetyl)phenyl)-4-methyl benzenesulfonamide

Conditions
ConditionsYield
With acetic acid at 115℃; for 3h;71%
5748-38-9

4-acetyl-4'-methylbiphenyl

2244-11-3

alloxan monohydrate

1416355-03-7

C19H16N2O5

Conditions
ConditionsYield
With acetic acid at 115℃; for 3h; Reflux;69%
282095-74-3

1-[4-(trifluoromethoxy)[1,1'-biphenyl]-4-yl-]-1-ethanone

2244-11-3

alloxan monohydrate

1416355-07-1

C19H13F3N2O6

Conditions
ConditionsYield
With acetic acid at 115℃; for 3h; Reflux;69%
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Chemistry

Product Name: Mesoxalylurea monohydrate (CAS NO.2244-11-3)


Molecular Formula: C4H4N2O5
Molecular Weight: 160.08g/mol
Mol File: 2244-11-3.mol
Einecs: 251-501-8
Appearance: Off-white to beige-yellowish crystalline powder
Melting Point: 255 °C (dec.)(lit.)
Boiling point: 374.1 °C at 760 mmHg
Storage Temperature: 2-8°C
Flash Point: 180 °C
Water Solubility: H2O: may be hazy yellow
Sensitive: Air Sensitive
Enthalpy of Vaporization: 69.46 kJ/mol
Vapour Pressure: 8.59E-07 mmHg at 25°C
H-Bond Donor: 3
H-Bond Acceptor: 5
Product Categories: Pyridines, Pyrimidines, Purines and Pteredines; Active Pharmaceutical Ingredients

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
hamster LD50 intravenous 65400ug/kg (65.4mg/kg) GASTROINTESTINAL: OTHER CHANGES Journal of Pharmacology and Experimental Therapeutics. Vol. 87, Pg. 382, 1946.
mouse LDLo intravenous 100mg/kg (100mg/kg)   Diabetes. Vol. 12, Pg. 66, 1963.
pig LDLo intravenous 200mg/kg (200mg/kg) ENDOCRINE: DIABETES MELLITIS

ENDOCRINE: HYPERGLYCEMIA
Metabolism, Clinical and Experimental. Vol. 29, Pg. 40, 1980.

Safety Profile

Poison by intravenous route. An experimental teratogen. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Safety Information of Mesoxalylurea monohydrate (CAS NO.2244-11-3):
Hazard Codes: Xn,Xi
Risk Statements: 20/21/22-36/37/38
20:  Harmful by inhalation 
21:  Harmful in contact with skin 
22:  Harmful if swallowed 
36:  Irritating to the eyes 
37:  Irritating to the respiratory system 
38:  Irritating to the skin  
Safety Statements: 36-26-36/37
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:  Wear suitable protective clothing  
37:  Wear suitable gloves 

Specification

 Mesoxalylurea monohydrate ,its CAS NO. is 2244-11-3,the synonyms is 2,4,5,6(1H,3h)-pyrimidinetetronehydrate ; 2,4,5,6-Tetraoxohexahydropyrimidinehydrate ; Mesoxalylcarbamidemonohydrate ; Labotest-bb lt00138148 ; Mesoxalylurea ; Mesoxalylurea, monohydrate ; 2,4,5,6-Tetraoxypyrimidine ; 2,4,5,6-Tetraoxypyrimidine monohydrate .