4-(Bis(2-Bromoethyl)Amino)-Phenol 4-(alpha,alpha,alpha-Trifluoromethyl)Benzoate CAS 22953-42-0

Purity 97%+In StockPharmaceutical Standards
CAS No.22953-42-0
Molecular FormulaC18H16Br2F3NO2
Molecular Weight495.13 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(Bis(2-Bromoethyl)Amino)-Phenol 4-(alpha,alpha,alpha-Trifluoromethyl)Benzoate CAS 22953-42-0 chemical structure

Description

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.

4-(Bis(2-Bromoethyl)Amino)-Phenol 4-(alpha,alpha,alpha-Trifluoromethyl)Benzoate (CAS 22953-42-0), molecular formula C18H16Br2F3NO2 and molecular weight 495.13 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C18H16Br2F3NO2, 4-(Bis(2-Bromoethyl)Amino)-Phenol 4-(alpha,alpha,alpha-Trifluoromethyl)Benzoate contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 495.13 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.

Physical & Chemical Properties

Molecular FormulaC18H16Br2F3NO2
Molecular Weight495.13 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at room temperature, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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.)1963
Halogen ContentF/Br-containing
Nitrogen Atoms1

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