3-(4-(4-Bromo-1H-pyrazol-1-yl)-3-fluorophenyl)acrylic acid CAS 1216339-42-2

Purity 97%+In StockPharmaceutical Standards
CAS No.1216339-42-2
Molecular FormulaC12H8BrFN2O2
Molecular Weight311.11 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(4-(4-Bromo-1H-pyrazol-1-yl)-3-fluorophenyl)acrylic acid CAS 1216339-42-2 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 311.11 g/mol gives 3-(4-(4-Bromo-1H-pyrazol-1-yl)-3-fluorophenyl)acrylic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 3-(4-(4-Bromo-1H-pyrazol-1-yl)-3-fluorophenyl)acrylic acid (CAS 1216339-42-2), a certified reference material (molecular formula C12H8BrFN2O2, MW 311.11 g/mol) for analytical method development and quality control.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, 3-(4-(4-Bromo-1H-pyrazol-1-yl)-3-fluorophenyl)acrylic acid is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 311.11 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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), 3-(4-(4-Bromo-1H-pyrazol-1-yl)-3-fluorophenyl)acrylic 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 FormulaC12H8BrFN2O2
Molecular Weight311.11 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.)1990
Halogen ContentF/Br-containing
Nitrogen Atoms2

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