4-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzoic acid CAS 514801-08-2
| CAS No. | 514801-08-2 |
| Molecular Formula | C11H9N3O4 |
| Molecular Weight | 247.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzoic acid is closely related to an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 4-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzoic acid (CAS 514801-08-2), a certified reference material (molecular formula C11H9N3O4, MW 247.21 g/mol) for analytical method development and quality control.
Structurally, 4-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzoic acid (C11H9N3O4) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 247.21 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 4-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzoic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C11H9N3O4 |
| Molecular Weight | 247.21 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Nitrogen Atoms | 3 |
Related Nitro Standards
- 3-[(3-nitro-1h-pyrazol-1-yl)methoxy]benzaldehyde (CAS 1006435-82-0)
- 3-((4-Nitro-1h-pyrazol-1-yl)methoxy)benzaldehyde (CAS 1006436-08-3)
- 4-((3-Nitro-1h-pyrazol-1-yl)methoxy)benzaldehyde (CAS 1006953-42-9)
- 4-[(4-nitro-1H-pyrazol-1-yl)methoxy]benzaldehyde (CAS 1006953-87-2)
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- 1-(4-Nitro-benzyl)-1H-pyrazole-4-carboxylic acid (CAS 1153368-80-9)
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Recommended Standards
- 4-[(3-nitro-1h-pyrazol-1-yl)methyl]benzoic acid (CAS 879465-94-8)
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- 3-Methyl-2-nitro-N-(4H-1,2,4-triazol-4-yl)benzamide (CAS 600126-55-4)
- 4-Amino-1-phenyl-1H-pyrazole-3,5-dicarboxylic acid (CAS 64299-23-6)
- 1-{4-[(methoxycarbonyl)amino]benzenesulfonyl}pyrrolidine-2-carboxylic acid (CAS 1008946-47-1)
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