3-(3-Chloro-4-fluorophenylcarbamoyl)-4-fluorophenylboronic acid CAS 1451393-29-5

Purity 97%+In StockPharmaceutical Standards
CAS No.1451393-29-5
Molecular FormulaC13H9BClF2NO3
Molecular Weight311.48 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(3-Chloro-4-fluorophenylcarbamoyl)-4-fluorophenylboronic acid CAS 1451393-29-5 chemical structure

Description

The occurrence of 3-(3-Chloro-4-fluorophenylcarbamoyl)-4-fluorophenylboronic acid is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

3-(3-Chloro-4-fluorophenylcarbamoyl)-4-fluorophenylboronic acid (CAS 1451393-29-5), molecular formula C13H9BClF2NO3 and molecular weight 311.48 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 3-(3-Chloro-4-fluorophenylcarbamoyl)-4-fluorophenylboronic acid (C13H9BClF2NO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.5, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 311.48 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 3-(3-Chloro-4-fluorophenylcarbamoyl)-4-fluorophenylboronic acid 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 FormulaC13H9BClF2NO3
Molecular Weight311.48 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)8.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1992
Halogen ContentF/Cl-containing
Nitrogen Atoms1

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