8-chloro-4-methyl-13-oxa-3,6,7-triazatricyclo[7.4.0.0²,⁶]trideca-1(9),2,4,7-tetraene CAS 2839757-64-9

Purity 97%+In StockPharmaceutical Standards
CAS No.2839757-64-9
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

8-chloro-4-methyl-13-oxa-3,6,7-triazatricyclo[7.4.0.0²,⁶]trideca-1(9),2,4,7-tetraene CAS 2839757-64-9 chemical structure

Description

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.

8-chloro-4-methyl-13-oxa-3,6,7-triazatricyclo[7.4.0.0²,⁶]trideca-1(9),2,4,7-tetraene (CAS 2839757-64-9) is a high-purity analytical reference standard with the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol.

Based on its molecular formula C10H10ClN3O, 8-chloro-4-methyl-13-oxa-3,6,7-triazatricyclo[7.4.0.0²,⁶]trideca-1(9),2,4,7-tetraene contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 223.66 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.

Physical & Chemical Properties

Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
AppearanceOff-white 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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2003
Halogen ContentCl-containing
Nitrogen Atoms3

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