1-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride CAS 848611-91-6

Purity 97%+In StockPharmaceutical Standards
CAS No.848611-91-6
Molecular FormulaC13H17ClFN4
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride CAS 848611-91-6 chemical structure

Description

1-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride (CAS 848611-91-6), molecular formula C13H17ClFN4Cl and molecular weight 319.20 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/chlorine substitution, 1-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 319.20 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 1-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride 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 FormulaC13H17ClFN4 Cl
Molecular Weight319.20 g/mol
AppearanceOff-white to pale 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)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF/Cl-containing
Nitrogen Atoms4

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