4-(3-amino-4-bromo-1H-pyrazol-1-yl)-3-fluorobenzonitrile CAS 1247586-99-7

Purity 97%+In StockPharmaceutical Standards
CAS No.1247586-99-7
Molecular FormulaC10H6BrFN4
Molecular Weight281.08 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(3-amino-4-bromo-1H-pyrazol-1-yl)-3-fluorobenzonitrile CAS 1247586-99-7 chemical structure

Description

4-(3-amino-4-bromo-1H-pyrazol-1-yl)-3-fluorobenzonitrile (CAS 1247586-99-7), molecular formula C10H6BrFN4 and molecular weight 281.08 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 4-(3-amino-4-bromo-1H-pyrazol-1-yl)-3-fluorobenzonitrile (C10H6BrFN4) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/bromine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), 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.

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-(3-amino-4-bromo-1H-pyrazol-1-yl)-3-fluorobenzonitrile 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 FormulaC10H6BrFN4
Molecular Weight281.08 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Halogen ContentF/Br-containing
Nitrogen Atoms4

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