tert-Butyl 4-cyanobenzoate CAS 55696-50-9

Purity 97%+In StockPharmaceutical Standards
CAS No.55696-50-9
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

tert-Butyl 4-cyanobenzoate CAS 55696-50-9 chemical structure

Description

tert-Butyl 4-cyanobenzoate (CAS 55696-50-9) is a high-purity analytical reference standard with the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol.

Owing to an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage, tert-Butyl 4-cyanobenzoate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 203.24 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.

CATO manufactures tert-Butyl 4-cyanobenzoate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC12H13NO2
Molecular Weight203.24 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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1972
Nitrogen Atoms1

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