Description
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(4-nitrophenyl)- (CAS No. 6402-09-1) is a high-purity heterocyclic organic compound with the molecular formula C10H9N3O3. This yellow crystalline powder is widely utilized in pharmaceutical and chemical research due to its pyrazolone backbone and nitro-substituted phenyl group, which make it a valuable intermediate in synthetic chemistry. With an IUPAC name of 5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one, this compound exhibits excellent stability under standard laboratory conditions and is soluble in common organic solvents such as ethanol, DMSO, and acetone. Each batch undergoes rigorous QC testing, including HPLC and NMR analysis, to ensure ≥98% purity, meeting the stringent requirements of researchers and industrial applications. Proper storage in a cool, dry environment is recommended to maintain its integrity.
Properties
- CAS Number: 6402-09-1
- Complexity: 340
- IUPAC Name: 5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one
- InChI: InChI=1S/C10H9N3O3/c1-7-6-10(14)12(11-7)8-2-4-9(5-3-8)13(15)16/h2-5H,6H2,1H3
- InChI Key: MYPAMGFTHVEING-UHFFFAOYSA-N
- Exact Mass: 219.06439116
- Molecular Formula: C10H9N3O3
- Molecular Weight: 219.20
- SMILES: CC1=NN(C(=O)C1)C2=CC=C(C=C2)[N+](=O)[O-]
- Topological: 78.5
- Monoisotopic Mass: 219.06439116
- Synonyms: 1-(4-Nitrophenyl)-3-methyl-5-pyrazolone, 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(4-nitrophenyl)-, 2-Pyrazolin-5-one, 3-methyl-1-(p-nitrophenyl)-, 3-Methyl-1-(4-nitrophenyl)-5-pyrazolone, AI3-61060, DTXSID7064312, EINECS 229-018-9, NSC 15353, DTXCID3044178, 2-Pyrazolin-5-one, 3-methyl-1-(p-nitrophenyl)-(8CI), 229-018-9, 6402-09-1, 5-Methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one, 5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one, MLS002638425, NSC-15353, 1-(4-nitrophenyl)-3-methyl-2-pyrazolin-5-one, 3-methyl-1-(4-nitrophenyl)-2-pyrazolin-5-one, 5-methyl-2-(4-nitrophenyl)-2,3-dihydro-1H-pyrazol-3-one, 2-{4-nitrophenyl}-5-methyl-2,4-dihydro-3H-pyrazol-3-one, NSC15353, B9SDZ9U3E8, CBDivE_001863, 3-methyl-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one, CHEMBL220283, SCHEMBL4664731, SCHEMBL9511915, HMS3089D20, MFCD00020751, STK508279, AKOS004114702, AB90964, SMR001547906, CS-0152727, M0377, NS00035620, N12012, AA-504/08378001, AE-641/00786013, 5-Methyl-2-(4-nitrophenyl)-2,4-dihydro-3-pyrazolone, 5-methyl-2-(4-nitrophenyl)-2,4-dihydro-pyrazol-3-one, 3H-Pyrazol-3-one,4-dihydro-5-methyl-2-(4-nitrophenyl)-, 5-Methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one #
Application
This compound serves as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of antipyretic and analgesic agents. It is also employed in organic synthesis for the preparation of dyes and pigments due to its nitro-aromatic functionality. Researchers utilize it in heterocyclic chemistry studies to explore novel reaction pathways and functional group transformations.
Safety and Hazards
GHS Hazard Statements
- H302 (84.4%): Harmful if swallowed [Warning Acute toxicity, oral]
- H317 (84.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statements
- P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501
Hazard Classes and Categories
- Acute Tox. 4 (84.4%)
- Skin Sens. 1 (84.4%)
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