1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-bromo-2-(2H-tetrazol-5-yl)phenyl)thiourea CAS 956014-19-0

Purity 97%+In StockPharmaceutical Standards
CAS No.956014-19-0
Molecular FormulaC16H9BrF6N6S
Molecular Weight511.24 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-bromo-2-(2H-tetrazol-5-yl)phenyl)thiourea CAS 956014-19-0 chemical structure

Description

1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-bromo-2-(2H-tetrazol-5-yl)phenyl)thiourea (CAS 956014-19-0), molecular formula C16H9BrF6N6S and molecular weight 511.24 g/mol, is a CATO reference standard with documented purity and traceability.

1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-bromo-2-(2H-tetrazol-5-yl)phenyl)thiourea (C16H9BrF6N6S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/bromine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.

As a certified reference material (CRM), 1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-bromo-2-(2H-tetrazol-5-yl)phenyl)thiourea 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 FormulaC16H9BrF6N6S
Molecular Weight511.24 g/mol
Purity97%+
StorageStore at room temperature, 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)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF/Br-containing
Nitrogen Atoms6
Sulfur Atoms1

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