2-(2-Amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile CAS 175136-96-6

Purity 97%+In StockPharmaceutical Standards
CAS No.175136-96-6
Molecular FormulaC13H6Br2N4O
Molecular Weight394.02 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(2-Amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile CAS 175136-96-6 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-(2-Amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile.

2-(2-Amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile (CAS 175136-96-6) is a high-purity analytical reference standard with the molecular formula C13H6Br2N4O and a molecular weight of 394.02 g/mol.

Based on its molecular formula C13H6Br2N4O, 2-(2-Amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 394.02 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.

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.

Physical & Chemical Properties

Molecular FormulaC13H6Br2N4O
Molecular Weight394.02 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2007
Halogen ContentBr-containing
Nitrogen Atoms4

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