3-((3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)methyl)benzoic acid CAS 400752-48-9
| CAS No. | 400752-48-9 |
| Molecular Formula | C13H13N3O4 |
| Molecular Weight | 275.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 275.26 g/mol gives 3-((3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)methyl)benzoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 3-((3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)methyl)benzoic acid (CAS 400752-48-9), a certified reference material (molecular formula C13H13N3O4, MW 275.26 g/mol) for analytical method development and quality control.
The molecular framework of 3-((3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)methyl)benzoic acid (C13H13N3O4) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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), 3-((3,5-Dimethyl-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 | C13H13N3O4 |
| Molecular Weight | 275.26 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 DMSO, DMF, methanol |
| 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.) | 2025 |
| Nitrogen Atoms | 3 |
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- 4-Methoxy-5-(piperazin-1-yl)pyridin-2-amine (CAS 2311864-26-1)
- 2-(2-Bromo-4-methoxyphenyl)acetaldehyde (CAS 1379317-71-1)
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- 2,3-Difluoro-6-methoxybenzoic Acid (CAS 773873-26-0)
- 1-Isopropyl-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid (CAS 1344334-48-0)
- 2-(3-(Methoxymethyl)phenyl)cyclopropan-1-amine (CAS 1489751-32-7)
- Cyclolinopeptide B (CAS 193139-41-2)
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