6-Cyano-trans-3-bromo-3,4-dihydro-2,2-dimethyl-2H-benzo-[b]-pyran-4-ol 65018-89-5 trans-3-Bromo-3,4-dihydro-4-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carbonitrile CAS 65018-89-5

Purity 97%+In StockPharmaceutical Standards
CAS No.65018-89-5
Molecular FormulaC12H12BrNO2
Molecular Weight282.13 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

6-Cyano-trans-3-bromo-3,4-dihydro-2,2-dimethyl-2H-benzo-[b]-pyran-4-ol
65018-89-5
trans-3-Bromo-3,4-dihydro-4-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carbonitrile CAS 65018-89-5 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.

6-Cyano-trans-3-bromo-3,4-dihydro-2,2-dimethyl-2H-benzo-[b]-pyran-4-ol 65018-89-5 trans-3-Bromo-3,4-dihydro-4-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carbonitrile (CAS 65018-89-5), molecular formula C12H12BrNO2 and molecular weight 282.13 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 6-Cyano-trans-3-bromo-3,4-dihydro-2,2-dimethyl-2H-benzo-[b]-pyran-4-ol 65018-89-5 trans-3-Bromo-3,4-dihydro-4-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carbonitrile (C12H12BrNO2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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 FormulaC12H12BrNO2
Molecular Weight282.13 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1975
Halogen ContentBr-containing
Nitrogen Atoms1

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