- 5-Nitrouracil
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- $35.00
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2026-07-09
- CAS:611-08-5
- Min. Order: 1kg
- Purity: 99%
- 5-Nitrouracil
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- $10.70
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2026-05-28
- CAS:611-08-5
- Min. Order: 10KG
- Purity: 99%
- Supply Ability: 10000kg
- 5-Nitrouracil
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- $5.00
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2026-04-10
- CAS:611-08-5
- Min. Order: 1KG
- Purity: 99% hplc
- Supply Ability: 500TONS
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| | 5-Nitrouracil Basic information | | Uses |
| | 5-Nitrouracil Chemical Properties |
| Melting point | >300 °C(lit.) | | Boiling point | 281.7°C (rough estimate) | | density | 1.8278 (rough estimate) | | refractive index | 1.5000 (estimate) | | storage temp. | Inert atmosphere,Room Temperature | | solubility | DMSO, Water | | pka | 5.19±0.10(Predicted) | | form | Crystalline Powder or Needles | | color | Off-white to pale yellow | | Water Solubility | 3.61g/L(25 ºC) | | BRN | 10410 | | InChI | InChI=1S/C4H3N3O4/c8-3-2(7(10)11)1-5-4(9)6-3/h1H,(H2,5,6,8,9) | | InChIKey | TUARVSWVPPVUGS-UHFFFAOYSA-N | | SMILES | C1(=O)NC=C([N+]([O-])=O)C(=O)N1 | | CAS DataBase Reference | 611-08-5(CAS DataBase Reference) | | EPA Substance Registry System | 5-Nitrouracil (611-08-5) |
| Hazard Codes | F,C | | Risk Statements | 11-34 | | Safety Statements | 22-24/25-45-36/37/39-26-16 | | WGK Germany | 2 | | RTECS | UV9104545 | | TSCA | TSCA listed | | HS Code | 29335990 | | Storage Class | 13 - Non Combustible Solids |
| | 5-Nitrouracil Usage And Synthesis |
| Uses | 5-Nitrouracil is a compound useful in organic synthesis. | | Chemical Properties | Off-White Solid | | Uses | 5-Nitrouracil (cas# 611-08-5) is a compound useful in organic synthesis. | | Definition | ChEBI: 5-nitrouracil is a C-nitro compound consisting of uracil having a nitro group at the 5-position. It is functionally related to a uracil. | | Synthesis | The general procedure for the synthesis of 5-nitropyrimidine-2,4(1H,3H)-dione from pyrimidine-2,4(1H,3H)-dione: Nitric acid solution (5.34 mL, 120 mmol, 70% solution) was added drop-wise to concentrated sulfuric acid (19.7 mL, 360 mmol, 98% solution) under the condition of the temperature not exceeding 50 ℃. Subsequently, pyrimidine-2,4(1H,3H)-dione (7.204 g, 60 mmol) was added to the stirred mixed acid solution in batches while controlling the reaction temperature not to exceed 50°C. The reaction mixture was heated to 55 °C and maintained for 3 h, after which it was cooled below room temperature and the reaction was quenched with ice water (38 mL). The resulting white precipitate was collected by filtration, washed with a small amount of ice water and dried under reduced pressure at 55 °C to afford 5-nitropyrimidine-2,4(1H,3H)-dione (8.658 g, 55.11 mmol, 92% yield) as a white solid. Product properties: decomposition temperature >288°C; thin layer chromatography Rf value 0.00 (unfolding agent ratio 1:10 ethyl acetate/hexane); IR spectrum (ZnSe pool, solid) vmax: 3142-2811 cm^-1 (medium, broad, OH/NH/CH), 1732 cm^-1 (strong, C=O), 1677 and 1624 cm^-1 (strong. NO2), 1417 cm^-1 (medium, CH), 1356 cm^-1 (medium, NO2), 1318 cm^-1 (strong, aromatic R2NH/R3N), 1234 cm^-1 (strong, -OH), 975 and 832 cm^-1 (weak, aromatic ring bending); 1H NMR (500 MHz, d6-DMSO): δ 8.84 ( 1H, single peak, 6-CH) ppm; 13C NMR (125 MHz, d6-DMSO): δ 155.5 (4-C=O), 149.8 (6-CH), 147.9 (2-C=O), 125.1 (5-CNO2) ppm. | | Purification Methods | The uracil recrystallises in prisms from boiling H2O as the monohydrate and loses H2O on drying in vacuo. [UV: Brown J Chem Soc 3647 1959, Brown J Appl Chem 2 239 1952, Johnson J Am Chem Soc 63 263 1941, Beilstein 24 I 313, 24 II 171, 24 III/IV 1236.] | | References | [1] European Journal of Medicinal Chemistry, 2015, vol. 95, p. 29 - 34
[2] American Chemical Journal, 1905, vol. 33, p. 443
[3] American Chemical Journal, 1908, vol. 40, p. 31
[4] Journal of Biological Chemistry, 1908, vol. 4, p. 410
[5] Journal of the American Chemical Society, 1919, vol. 41, p. 786 |
| | 5-Nitrouracil Preparation Products And Raw materials |
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