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Cas Database |
| Name |
5-Nitrouracil |
EINECS | 210-250-4 |
| CAS No. | 611-08-5 | Density | 1.7 g/cm3 |
| PSA | 111.54000 | LogP | -0.50540 |
| Solubility | 3.61g/L(25 oC) | Melting Point |
>300 °C(lit.) |
| Formula | C4H3N3O4 | Boiling Point | 453.3 °C at 760 mmHg |
| Molecular Weight | 157.086 | Flash Point | 227.9 °C |
| Transport Information | N/A | Appearance | Off-white solid |
| Safety | 22-24/25-45-36/37/39-26-16 | Risk Codes | 11-34 |
| Molecular Structure |
|
Hazard Symbols |
 C,  F
|
| Synonyms |
Uracil,5-nitro- (6CI,8CI);5-Nitro-2,4-dihydroxypyrimidine;2,4(1H,3H)-Pyrimidinedione,5-nitro-; |
Article Data | 26 |
5-Nitrouracil Synthetic route
| Conditions | Yield |
|---|---|
| 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 |
|---|---|
| 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 |
- 98198-74-4
4-chloro-2-ethylsulfanyl-pyrimidine
- 611-08-5
5-nitrobarbituric acid
| Conditions | Yield |
|---|---|
| With sulfuric acid; nitric acid |
| Conditions | Yield |
|---|---|
| With sulfuric acid; nitric acid |
- 17687-24-0
5-nitroorotic acid
- 611-08-5
5-nitrobarbituric acid
| Conditions | Yield |
|---|---|
| at 100 - 150℃; | |
| at 130℃; das saure Kaliumsalz reagiert; |
| Conditions | Yield |
|---|---|
| With nitric acid |
- 100-25-4
para-dinitrobenzene
- 58431-12-2
5-nitrouracil (radical anion)
A
- 611-08-5
5-nitrobarbituric acid
B
- 100-25-4
1,4-dinitroanthracene radical anion
| Conditions | Yield |
|---|---|
| In water; isopropyl alcohol Rate constant; Thermodynamic data; Irradiation; electron transfer reaction ΔE exc.; |
- 100-19-6
(4-nitrophenyl)ethanone
- 58431-12-2
5-nitrouracil (radical anion)
A
- 611-08-5
5-nitrobarbituric acid
B
- 100-19-6
p-nitroacetophenone anion radical
| Conditions | Yield |
|---|---|
| In water; isopropyl alcohol Rate constant; Thermodynamic data; Irradiation; electron transfer reaction ΔE exc.; |
5-Nitrouracil Chemical Properties
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 Uses
5-Nitrouracil (CAS NO.611-08-5) is used as pharmaceutical intermediates and solvents.
5-Nitrouracil Toxicity Data With Reference
| 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, |
5-Nitrouracil Safety Profile
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 Specification
5-Nitrouracil (CAS NO.611-08-5), its Synonyms are 2,4(1H,3H)-Pyrimidinedione, 5-nitro- ; Uracil, 5-nitro- .
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