(E)-4-(benzo[d]thiazol-2-ylamino)-1,1,1-trifluorobut-3-en-2-one CAS 478040-77-6

Purity 97%+In StockPharmaceutical Standards
CAS No.478040-77-6
Molecular FormulaC11H7F3N2OS
Molecular Weight272.25 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(E)-4-(benzo[d]thiazol-2-ylamino)-1,1,1-trifluorobut-3-en-2-one CAS 478040-77-6 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.

(E)-4-(benzo[d]thiazol-2-ylamino)-1,1,1-trifluorobut-3-en-2-one (CAS 478040-77-6), molecular formula C11H7F3N2OS and molecular weight 272.25 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, (E)-4-(benzo[d]thiazol-2-ylamino)-1,1,1-trifluorobut-3-en-2-one (C11H7F3N2OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 272.25 g/mol, it falls into the medium-molecular-weight range. 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 FormulaC11H7F3N2OS
Molecular Weight272.25 g/mol
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)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF-containing
Nitrogen Atoms2
Sulfur Atoms1

Related E Standards

Recommended Standards

Why CATO?