Methyl 4-chloro-3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate CAS 2096994-73-7

Purity 97%+In StockPharmaceutical Standards
CAS No.2096994-73-7
Molecular FormulaC13H16BClO4
Molecular Weight282.53 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 4-chloro-3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate CAS 2096994-73-7 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 282.53 g/mol gives Methyl 4-chloro-3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Methyl 4-chloro-3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate (CAS 2096994-73-7) is a high-purity analytical reference standard with the molecular formula C13H16BClO4 and a molecular weight of 282.53 g/mol.

Structurally, Methyl 4-chloro-3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate (C13H16BClO4) contains a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.5, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 282.53 g/mol, it falls into the medium-molecular-weight range. 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 Methyl 4-chloro-3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate 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 FormulaC13H16BClO4
Molecular Weight282.53 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)5.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1997
Halogen ContentCl-containing

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