(1R,9S)-5-chloro-1,6,8-triazatricyclo[7.3.1.0²⁷]trideca-2,4,6-triene CAS 1638603-94-7

Purity 97%+In StockPharmaceutical Standards
CAS No.1638603-94-7
Molecular FormulaC10H18ClN3
Molecular Weight215.72 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(1R,9S)-5-chloro-1,6,8-triazatricyclo[7.3.1.0²⁷]trideca-2,4,6-triene CAS 1638603-94-7 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 215.72 g/mol gives (1R,9S)-5-chloro-1,6,8-triazatricyclo[7.3.1.0²⁷]trideca-2,4,6-triene distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

(1R,9S)-5-chloro-1,6,8-triazatricyclo[7.3.1.0²⁷]trideca-2,4,6-triene (CAS 1638603-94-7) is a high-purity analytical reference standard with the molecular formula C10H18ClN3 and a molecular weight of 215.72 g/mol.

The molecular framework of (1R,9S)-5-chloro-1,6,8-triazatricyclo[7.3.1.0²⁷]trideca-2,4,6-triene (C10H18ClN3) is characterized by a nitrile group, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC10H18ClN3
Molecular Weight215.72 g/mol
AppearanceWhite to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1993
Halogen ContentCl-containing
Nitrogen Atoms3

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