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CAS No.: | 611-08-5 |
---|---|
Name: | 5-Nitrouracil |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C4H3N3O4 |
Molecular Weight: | 157.086 |
Synonyms: | Uracil,5-nitro- (6CI,8CI);5-Nitro-2,4-dihydroxypyrimidine;2,4(1H,3H)-Pyrimidinedione,5-nitro-; |
EINECS: | 210-250-4 |
Density: | 1.7 g/cm3 |
Melting Point: | >300 °C(lit.) |
Boiling Point: | 453.3 °C at 760 mmHg |
Flash Point: | 227.9 °C |
Solubility: | 3.61g/L(25 oC) |
Appearance: | Off-white solid |
Hazard Symbols: | C, F |
Risk Codes: | 11-34 |
Safety: | 22-24/25-45-36/37/39-26-16 |
PSA: | 111.54000 |
LogP: | -0.50540 |
Conditions | Yield |
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With sulfuric acid; nitric acid at 50 - 55℃; for 3h; Inert atmosphere; | 92% |
With sulfuric acid; nitric acid at 125℃; | |
With nitric acid |
Conditions | Yield |
---|---|
With triethylamine; 2,4-Dichloro-5-nitropyrimidine In acetonitrile for 5h; Product distribution; Heating; | A n/a B 65% C 50% |
Conditions | Yield |
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In dichloromethane for 0.5h; Product distribution; Ambient temperature; other solvent, temperature, reaction time; | A 42% B 44% |
Conditions | Yield |
---|---|
With sulfuric acid; nitric acid |
4-chloro-2-ethylsulfanyl-pyrimidine
5-nitrobarbituric acid
Conditions | Yield |
---|---|
With sulfuric acid; nitric acid |
Conditions | Yield |
---|---|
With sulfuric acid; nitric acid |
5-nitroorotic acid
5-nitrobarbituric acid
Conditions | Yield |
---|---|
at 100 - 150℃; | |
at 130℃; das saure Kaliumsalz reagiert; |
Conditions | Yield |
---|---|
With nitric acid |
para-dinitrobenzene
5-nitrouracil (radical anion)
A
5-nitrobarbituric acid
B
1,4-dinitroanthracene radical anion
Conditions | Yield |
---|---|
In water; isopropyl alcohol Rate constant; Thermodynamic data; Irradiation; electron transfer reaction ΔE exc.; |
(4-nitrophenyl)ethanone
5-nitrouracil (radical anion)
A
5-nitrobarbituric acid
B
p-nitroacetophenone anion radical
Conditions | Yield |
---|---|
In water; isopropyl alcohol Rate constant; Thermodynamic data; Irradiation; electron transfer reaction ΔE exc.; |
IUPAC Name: 5-Nitro-1H-pyrimidine-2,4-dione
Molecular Formula: C4H3N3O4
Molecular Weight: 157.084320 g/mol
EINECS: 210-250-4
Product Categories: Pyrimidine series; Pyridines, Pyrimidines, Purines and Pteredines; Miscellaneous; Nucleotides and Nucleosides; Pyrimidines; Functional Materials; Organic Nonlinear Optical Materials; Pyrimidine; Nucleic acids; Bases & Related Reagents; Nucleotides
Index of Refraction: 1.607
Molar Refractivity: 31.77 cm3
Molar Volume: 91.9 cm3
Surface Tension: 74.5 dyne/cm
Density: 1.7 g/cm3
Flash Point: 227.9 °C
Enthalpy of Vaporization: 74 kJ/mol
Boiling Point: 453.3 °C at 760 mmHg
Vapour Pressure: 7.81E-09 mmHg at 25 °C
Appearance: Off-White Solid
Melting Point of 5-Nitrouracil (CAS NO.611-08-5): >300 °C(lit.)
5-Nitrouracil (CAS NO.611-08-5) is used as pharmaceutical intermediates and solvents.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 3250mg/kg (3250mg/kg) | United States Patent Document. Vol. #3423508, | |
mouse | LD50 | parenteral | 1950mg/kg (1950mg/kg) | United States Patent Document. Vol. #3423508, |
Hazard Codes:F ,C
Risk Statements:11-34
11:Highly Flammable
34:Causes burns
Safety Statements:22-24/25-45-36/37/39-26-16
22:Do not breathe dust
24/25:Avoid contact with skin and eyes
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
16:Keep away from sources of ignition - No smoking
WGK Germany:2
RTECS:UV9104545
5-Nitrouracil (CAS NO.611-08-5), its Synonyms are 2,4(1H,3H)-Pyrimidinedione, 5-nitro- ; Uracil, 5-nitro- .