Atomfair 4(3H)-Pyrimidinone, 6-hydroxy-5-nitro- C4H3N3O4 CAS 2164-83-2

Description

4(3H)-Pyrimidinone, 6-hydroxy-5-nitro- (CAS No. 2164-83-2) is a high-purity heterocyclic organic compound with the molecular formula C₄H₃N₃O₄. This nitro-substituted pyrimidinone derivative is a valuable building block in pharmaceutical and biochemical research, particularly in the synthesis of nucleoside analogs and enzyme inhibitors. The compound features a reactive 4-hydroxy-5-nitro-1H-pyrimidin-6-one core structure, making it suitable for further functionalization and cross-coupling reactions. Our product is rigorously tested for purity (typically ≥95% by HPLC) and is supplied as a fine, crystalline powder with excellent batch-to-batch consistency. Proper storage at 2-8°C in a tightly sealed container is recommended to maintain stability.

Properties

• CAS Number: 2164-83-2
• Complexity: 274
• IUPAC Name: 4-hydroxy-5-nitro-1H-pyrimidin-6-one
• InChI: InChI=1S/C4H3N3O4/c8-3-2(7(10)11)4(9)6-1-5-3/h1H,(H2,5,6,8,9)
• InChI Key: ABTLZAVJDRUDNG-UHFFFAOYSA-N
• Exact Mass: 157.01235559
• Molecular Formula: C4H3N3O4
• Molecular Weight: 157.08
• SMILES: C1=NC(=C(C(=O)N1)[N+](=O)[O-])O
• Topological: 108
• Monoisotopic Mass: 157.01235559
• Synonyms: 2164-83-2, 5-Nitropyrimidine-4,6-diol, 4(1H)-Pyrimidinone, 6-hydroxy-5-nitro-, 5-Nitro-4,6-dihydroxypyrimidine, 6-Hydroxy-5-nitro-4(1H)-pyrimidinone, 4,6-Pyrimidinediol, 5-nitro-, DTXSID4062228, EINECS 218-504-6, NSC 36909, 4(3H)-Pyrimidinone, 6-hydroxy-5-nitro-, DTXCID3036525, 218-504-6, 4,6-Dihydroxy-5-nitropyrimidine, 4,6-Dihydroxy-5-nitropyrimdine, 4-hydroxy-5-nitro-1H-pyrimidin-6-one, 5-Nitro-4,6-pyrimidinediol, MFCD00006110, 6-Hydroxy-5-nitro-3H-pyrimidin-4-one, 6-hydroxy-5-nitro-3,4-dihydropyrimidin-4-one, NSC36909, 4, 5-nitro-, SCHEMBL2033648, 5-Nitro-4,6-pyrimidinediol #, ABTLZAVJDRUDNG-UHFFFAOYSA-, 4, 6-Dihydroxy-5-nitropyrimidine, CCG-49870, NSC-36909, SBB004009, STK984504, Pyrimidine, 4,6-dihydroxy-5-nitro-, AKOS000121443, AKOS000280456, AC-2972, GS-6771, SB57249, 6-hydroxy-5-nitropyrimidin-4(3h)-one, 4 pound not6-Dihydroxy-5-nitropyrimdine, 4,6-Dihydroxy-5-nitropyrimidine, 95%, 4(3H)-Pyrimidinone,6-hydroxy-5-nitro-, SY003455, DB-013025, CS-0137126, D1960, NS00026932, ST45021390, 4,6-Pyrimidinediol, 5-nitro-, (keto form), EN300-21567, SR-01000639295-1, Z104502220, InChI=1/C4H3N3O4/c8-3-2(7(10)11)4(9)6-1-5-3/h1H,(H2,5,6,8,9)

Application

This nitro-substituted pyrimidinone serves as a key intermediate in medicinal chemistry for developing antiviral and anticancer agents. Researchers utilize it in the synthesis of modified nucleosides that mimic natural substrates for enzyme inhibition studies. The compound’s nitro group also makes it valuable for photoaffinity labeling applications in proteomics research.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.7%)

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