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5-Nitrouracil

CAS No.
611-08-5
Chemical Name:
5-Nitrouracil
Synonyms
5-NITROPYRIMIDINE-2,4-DIOL;5-NITROPYRIMIDINE-2,4(1H,3H)-DIONE;NSC 9790;NITROURACIL;5-NITROURACIL;5-Nitrouyacil;5-Nitro-1H-pyr;Uracil, 5-nitro-;5-Nitrouracil>5-Nitrouracil 98%
CBNumber:
CB1457683
Molecular Formula:
C4H3N3O4
Molecular Weight:
157.08
MDL Number:
MFCD00006021
MOL File:
611-08-5.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-05-27 23:35:27
Product description Number Pack Size Price
5-Nitrouracil 98% 852767 25g $54.2
5-Nitrouracil >99.0%(HPLC)(T) N0281 5g $17
5-Nitrouracil >99.0%(HPLC)(T) N0281 25g $41
5-Nitrouracil N2722 10g $312
5-Nitrouracil N2722 50g $460
More product size

5-Nitrouracil 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
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)
UNSPSC Code 12352103
NACRES NA.23

SAFETY

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
PPE Eyeshields, Gloves, type N95 (US)
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
NFPA 704
1
2 0

5-Nitrouracil price More Price(99)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 852767 5-Nitrouracil 98% 611-08-5 25g $54.2 2023-06-20 Buy
TCI Chemical N0281 5-Nitrouracil >99.0%(HPLC)(T) 611-08-5 5g $17 2026-04-30 Buy
TCI Chemical N0281 5-Nitrouracil >99.0%(HPLC)(T) 611-08-5 25g $41 2026-04-30 Buy
Usbiological N2722 5-Nitrouracil 611-08-5 10g $312 2026-06-03 Buy
Usbiological N2722 5-Nitrouracil 611-08-5 50g $460 2026-06-03 Buy
Product number Packaging Price Buy
852767 25g $54.2 Buy
N0281 5g $17 Buy
N0281 25g $41 Buy
N2722 10g $312 Buy
N2722 50g $460 Buy

5-Nitrouracil Chemical Properties,Uses,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

Uracil

66-22-8

5-Nitrouracil

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

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View Lastest Price from 5-Nitrouracil manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
5-Nitrouracil pictures 2026-09-02 5-Nitrouracil
611-08-5
$1.10-35.00 1kg 99% Henan Fengda Chemical Co., Ltd
5-Nitrouracil pictures 2026-05-28 5-Nitrouracil
611-08-5
$10.70 10KG 99% 10000kg Hebei Chuanghai Biotechnology Co,.LTD
5-Nitrouracil pictures 2026-04-10 5-Nitrouracil
611-08-5
$2.00-5.00 1KG 99% hplc 500TONS Wuhan JiyunZen Tech Co., Ltd.
  • 5-Nitrouracil pictures
  • 5-Nitrouracil
    611-08-5
  • $1.10-35.00
  • 99%
  • Henan Fengda Chemical Co., Ltd
  • 5-Nitrouracil pictures
  • 5-Nitrouracil
    611-08-5
  • $10.70
  • 99%
  • Hebei Chuanghai Biotechnology Co,.LTD
  • 5-Nitrouracil pictures
  • 5-Nitrouracil
    611-08-5
  • $2.00-5.00
  • 99% hplc
  • Wuhan JiyunZen Tech Co., Ltd.
NITROURACIL 2,4-Dihydroxy-5-nitropyrimidin 5-NITRO-2,4-DIHYDROXYPYRIMIDINE 5-NITROURACIL NSC 9790 NHCONHCOC(NO 2):CH 5-NITROURACIL extrapure Uracil, 5-nitro- 5-Nitrouracil 98% 5-Nitro-pyriMidine-2,4-dio 5-Nitro-1H-pyr 2,4-DIHYDROXY-5-NITROPYRIMIDINE 2,4(1H,3H)-PYRIMIDINEDIONE-5-NITRO 5-NITRO-2,4-PYRIMIDINEDIOL 5-Nitrouracil, p.a. 5-nitro-1,2,3,4-tetrahydropyrimidine-2,4-dione 3h)-pyrimidinedione,5-nitro-4(1h 5-Nitro-1H-pyrimidine-2,4-dione 5-Nitro-2,4(1H,3H)-pyrimidindion 5-nitrouracil(2,4-dihydroxy-5-nitropyrimidine) 5-Nitrouracil,99% 5-NITRO-PYRIMIDIN-2,4-DIOL 5-NITROURACIL/PRAZOSIN DOXAZOSIN 5-nitro-4(1h,3h)-pyrimidinedione 5-NITROURACIL, 98+% 5-Nitrouracil> 5-Nitrouracil USP/EP/BP 5-Nitrouyacil 5-NITROPYRIMIDINE-2,4(1H,3H)-DIONE 5-NITROPYRIMIDINE-2,4-DIOL 611-08-5 108-79-27 C4H3N3O4 Organic Nonlinear Optical Materials marker Pyrimidine Nucleic acids Bases & Related Reagents Nucleotides Functional Materials Organic Nonlinear Optical Materials Nucleotides and Nucleosides Pyrimidines Pyrimidine series Pyridines, Pyrimidines, Purines and Pteredines Miscellaneous 611-08-5