N-(4-(tert-butyl)phenyl)-1,1,1-trifluoro-N-((trifluoromethyl)sulfonyl)methanesulfonamide CAS 121287-02-3

Purity 97%+In StockPharmaceutical Standards
CAS No.121287-02-3
Molecular FormulaC12H13F6NO4S2
Molecular Weight413.36 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

N-(4-(tert-butyl)phenyl)-1,1,1-trifluoro-N-((trifluoromethyl)sulfonyl)methanesulfonamide CAS 121287-02-3 chemical structure

Description

The occurrence of N-(4-(tert-butyl)phenyl)-1,1,1-trifluoro-N-((trifluoromethyl)sulfonyl)methanesulfonamide is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

N-(4-(tert-butyl)phenyl)-1,1,1-trifluoro-N-((trifluoromethyl)sulfonyl)methanesulfonamide (CAS 121287-02-3) is a high-purity analytical reference standard with the molecular formula C12H13F6NO4S2 and a molecular weight of 413.36 g/mol.

Structurally, N-(4-(tert-butyl)phenyl)-1,1,1-trifluoro-N-((trifluoromethyl)sulfonyl)methanesulfonamide (C12H13F6NO4S2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 413.36 g/mol, it falls into the moderately-high-molecular-weight range. 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), N-(4-(tert-butyl)phenyl)-1,1,1-trifluoro-N-((trifluoromethyl)sulfonyl)methanesulfonamide 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 FormulaC12H13F6NO4S2
Molecular Weight413.36 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
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)4.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1991
Halogen ContentF-containing
Nitrogen Atoms1
Sulfur Atoms2

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