5-Nitrouracil
Uses- Product Name
- 5-Nitrouracil
- CAS No.
- 611-08-5
- Chemical Name
- 5-Nitrouracil
- Synonyms
- NSC 9790;NITROURACIL;5-NITROURACIL;5-Nitrouyacil;5-Nitro-1H-pyr;Uracil, 5-nitro-;5-Nitrouracil>5-Nitrouracil 98%;5-Nitrouracil,99%;NHCONHCOC(NO 2):CH
- CBNumber
- CB1457683
- Molecular Formula
- C4H3N3O4
- Formula Weight
- 157.08
- MOL File
- 611-08-5.mol
5-Nitrouracil Property
- 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
- form
- Crystalline Powder or Needles
- pka
- 5.19±0.10(Predicted)
- 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)
Safety
- 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
- Yes
- HS Code
- 29335990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P312Call a POISON CENTER or doctor/physician if you feel unwell.
P403+P233Store in a well-ventilated place. Keep container tightly closed.
N-Bromosuccinimide Price
- Product number
- 852767
- Product name
- 5-Nitrouracil
- Purity
- 98%
- Packaging
- 25g
- Price
- $54.2
- Updated
- 2023/06/20
- Product number
- N0281
- Product name
- 5-Nitrouracil
- Purity
- >99.0%(HPLC)(T)
- Packaging
- 5g
- Price
- $16
- Updated
- 2025/07/31
- Product number
- N0281
- Product name
- 5-Nitrouracil
- Purity
- >99.0%(HPLC)(T)
- Packaging
- 25g
- Price
- $41
- Updated
- 2025/07/31
- Product number
- N2722
- Product name
- 5-Nitrouracil
- Packaging
- 10g
- Price
- $312
- Updated
- 2021/12/16
- Product number
- 234355
- Product name
- 5-Nitrouracil 99+%
- Packaging
- 25g
- Price
- $170
- Updated
- 2021/12/16
5-Nitrouracil Chemical Properties,Usage,Production
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
66-22-8
611-08-5
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
Raw materials
Preparation Products
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View Lastest Price from 5-Nitrouracil manufacturers
- Product
- 5-Nitrouracil 611-08-5
- Price
- US $0.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 50000KG/month
- Release date
- 2025-09-12
- Product
- 5-Nitrouracil 611-08-5
- Price
- US $5.00-0.50/KG
- Min. Order
- 1KG
- Purity
- 99% hplc
- Supply Ability
- 500TONS
- Release date
- 2025-05-08
- Product
- 5-Nitrouracil 611-08-5
- Price
- US $25.00/ASSAYS
- Min. Order
- 100ASSAYS
- Purity
- 99.5%
- Supply Ability
- 100 mt
- Release date
- 2025-03-10