7-Bromo-3,3-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine CAS 129790-86-9

Purity 97%+In StockPharmaceutical Standards
CAS No.129790-86-9
Molecular FormulaC11H13BrO2
Molecular Weight257.12 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

7-Bromo-3,3-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine CAS 129790-86-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 257.12 g/mol gives 7-Bromo-3,3-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

7-Bromo-3,3-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine (CAS 129790-86-9) is a high-purity analytical reference standard with the molecular formula C11H13BrO2 and a molecular weight of 257.12 g/mol.

Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system, 7-Bromo-3,3-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 257.12 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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), 7-Bromo-3,3-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine 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 FormulaC11H13BrO2
Molecular Weight257.12 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at room temperature, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1994
Halogen ContentBr-containing

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