4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-3-methyl-benzonitrile CAS 2231089-47-5

Purity 97%+In StockPharmaceutical Standards
CAS No.2231089-47-5
Molecular FormulaC13H16BNO2
Molecular Weight229.08 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-3-methyl-benzonitrile CAS 2231089-47-5 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 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-3-methyl-benzonitrile.

4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-3-methyl-benzonitrile (CAS 2231089-47-5) is a high-purity analytical reference standard with the molecular formula C13H16BNO2 and a molecular weight of 229.08 g/mol.

4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-3-methyl-benzonitrile (C13H16BNO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. Its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.

As a certified reference material (CRM), 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-3-methyl-benzonitrile 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 FormulaC13H16BNO2
Molecular Weight229.08 g/mol
AppearanceOff-white to pale yellow crystalline powder
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)6.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1998
Nitrogen Atoms1

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