2-((3,4-Dichlorophenyl)amino)-2-(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)acetonitrile CAS 685550-65-6

Purity 97%+In StockPharmaceutical Standards
CAS No.685550-65-6
Molecular FormulaC17H8Cl2N2O2
Molecular Weight343.16 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((3,4-Dichlorophenyl)amino)-2-(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)acetonitrile CAS 685550-65-6 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-((3,4-Dichlorophenyl)amino)-2-(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)acetonitrile.

2-((3,4-Dichlorophenyl)amino)-2-(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)acetonitrile (CAS 685550-65-6), molecular formula C17H8Cl2N2O2 and molecular weight 343.16 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 2-((3,4-Dichlorophenyl)amino)-2-(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)acetonitrile (C17H8Cl2N2O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 343.16 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.

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), 2-((3,4-Dichlorophenyl)amino)-2-(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)acetonitrile 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 FormulaC17H8Cl2N2O2
Molecular Weight343.16 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°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)14.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1985
Halogen ContentCl-containing
Nitrogen Atoms2

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