1-(2,4-Dichlorobenzyl)-3-nitro-1H-pyrazole-5-carboxylic acid CAS 402601-89-2

Purity 97%+In StockPharmaceutical Standards
CAS No.402601-89-2
Molecular FormulaC11H7Cl2N3O4
Molecular Weight316.10 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(2,4-Dichlorobenzyl)-3-nitro-1H-pyrazole-5-carboxylic acid CAS 402601-89-2 chemical structure

Description

Structurally, 1-(2,4-Dichlorobenzyl)-3-nitro-1H-pyrazole-5-carboxylic acid (C11H7Cl2N3O4) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. 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 316.10 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

CATO supplies 1-(2,4-Dichlorobenzyl)-3-nitro-1H-pyrazole-5-carboxylic acid (CAS 402601-89-2), a certified reference material (molecular formula C11H7Cl2N3O4, MW 316.10 g/mol) for analytical method development and quality control.

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

As a certified reference material (CRM), 1-(2,4-Dichlorobenzyl)-3-nitro-1H-pyrazole-5-carboxylic 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 FormulaC11H7Cl2N3O4
Molecular Weight316.10 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, ethanol, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Nitrogen Atoms3

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