4-((4-Nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)benzoic acid CAS 1006957-25-0

Purity 97%+In StockPharmaceutical Standards
CAS No.1006957-25-0
Molecular FormulaC12H8F3N3O4
Molecular Weight315.20 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-((4-Nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)benzoic acid CAS 1006957-25-0 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 315.20 g/mol gives 4-((4-Nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)benzoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

4-((4-Nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)benzoic acid (CAS 1006957-25-0), molecular formula C12H8F3N3O4 and molecular weight 315.20 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 4-((4-Nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)benzoic acid (C12H8F3N3O4) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. 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. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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.

CATO manufactures 4-((4-Nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)benzoic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC12H8F3N3O4
Molecular Weight315.20 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 DMSO, DMF, methanol
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.)1988
Halogen ContentF-containing
Nitrogen Atoms3

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