2-Bromo-9-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H,9H-[1,2,4]triazolo[5,1-c][1,4]oxazepine CAS 2412990-82-8

Purity 97%+In StockPharmaceutical Standards
CAS No.2412990-82-8
Molecular FormulaC12H10BrClFN3O
Molecular Weight346.58 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Bromo-9-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H,9H-[1,2,4]triazolo[5,1-c][1,4]oxazepine CAS 2412990-82-8 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 2-Bromo-9-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H,9H-[1,2,4]triazolo[5,1-c][1,4]oxazepine.

2-Bromo-9-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H,9H-[1,2,4]triazolo[5,1-c][1,4]oxazepine (CAS 2412990-82-8), molecular formula C12H10BrClFN3O and molecular weight 346.58 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 2-Bromo-9-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H,9H-[1,2,4]triazolo[5,1-c][1,4]oxazepine (C12H10BrClFN3O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 346.58 g/mol, it falls into the moderately-high-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.

As a certified reference material (CRM), 2-Bromo-9-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H,9H-[1,2,4]triazolo[5,1-c][1,4]oxazepine 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 FormulaC12H10BrClFN3O
Molecular Weight346.58 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2000
Halogen ContentF/Cl/Br-containing
Nitrogen Atoms3

Related Bromo Standards

Recommended Standards

Why CATO?