3,5-Dibromo-1-(3-phenylpropyl)-1H-1,2,4-triazole CAS 1240580-01-1

Purity 97%+In StockPharmaceutical Standards
CAS No.1240580-01-1
Molecular FormulaC11H11Br2N3
Molecular Weight345.03 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3,5-Dibromo-1-(3-phenylpropyl)-1H-1,2,4-triazole CAS 1240580-01-1 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 345.03 g/mol gives 3,5-Dibromo-1-(3-phenylpropyl)-1H-1,2,4-triazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3,5-Dibromo-1-(3-phenylpropyl)-1H-1,2,4-triazole (CAS 1240580-01-1), molecular formula C11H11Br2N3 and molecular weight 345.03 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C11H11Br2N3, 3,5-Dibromo-1-(3-phenylpropyl)-1H-1,2,4-triazole contains a nitrogen-containing heterocyclic scaffold, a nitrile group, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 345.03 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC11H11Br2N3
Molecular Weight345.03 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Halogen ContentBr-containing
Nitrogen Atoms3

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