6'-(Diethylamino)-2'-[[3-(Trifluoromethyl)Phenyl]Amino]Spiro[Isobenzofuran-1(3H),9'-[9H]Xanthene]-3-One CAS 68134-61-2

Purity 97%+In StockPharmaceutical Standards
CAS No.68134-61-2
Molecular FormulaC31H25F3N2O3
Molecular Weight530.54 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

6'-(Diethylamino)-2'-[[3-(Trifluoromethyl)Phenyl]Amino]Spiro[Isobenzofuran-1(3H),9'-[9H]Xanthene]-3-One CAS 68134-61-2 chemical structure

Description

The occurrence of 6'-(Diethylamino)-2'-[[3-(Trifluoromethyl)Phenyl]Amino]Spiro[Isobenzofuran-1(3H),9'-[9H]Xanthene]-3-One is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

6'-(Diethylamino)-2'-[[3-(Trifluoromethyl)Phenyl]Amino]Spiro[Isobenzofuran-1(3H),9'-[9H]Xanthene]-3-One (CAS 68134-61-2), molecular formula C31H25F3N2O3 and molecular weight 530.54 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 6'-(Diethylamino)-2'-[[3-(Trifluoromethyl)Phenyl]Amino]Spiro[Isobenzofuran-1(3H),9'-[9H]Xanthene]-3-One is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 530.54 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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), 6'-(Diethylamino)-2'-[[3-(Trifluoromethyl)Phenyl]Amino]Spiro[Isobenzofuran-1(3H),9'-[9H]Xanthene]-3-One 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 FormulaC31H25F3N2O3
Molecular Weight530.54 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore in a cool place (≤25°C), protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
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)19.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1976
Halogen ContentF-containing
Nitrogen Atoms2

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