{(2E)-3-Oxo-2-[4-(trifluoromethyl)benzylidene]-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetic acid CAS 900345-90-6

Purity 97%+In StockPharmaceutical Standards
CAS No.900345-90-6
Molecular FormulaC18H12F3NO3S
Molecular Weight379.35 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

{(2E)-3-Oxo-2-[4-(trifluoromethyl)benzylidene]-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetic acid CAS 900345-90-6 chemical structure

Description

The occurrence of {(2E)-3-Oxo-2-[4-(trifluoromethyl)benzylidene]-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetic acid is closely related to a steroid core, 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.

{(2E)-3-Oxo-2-[4-(trifluoromethyl)benzylidene]-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetic acid (CAS 900345-90-6), molecular formula C18H12F3NO3S and molecular weight 379.35 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, {(2E)-3-Oxo-2-[4-(trifluoromethyl)benzylidene]-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetic acid (C18H12F3NO3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 379.35 g/mol, it falls into the moderately-high-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.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

As a certified reference material (CRM), {(2E)-3-Oxo-2-[4-(trifluoromethyl)benzylidene]-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetic acid 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 FormulaC18H12F3NO3S
Molecular Weight379.35 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
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)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms1
Sulfur Atoms1

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