36530-06-0 12-Chloro-2,11,13,22,30,31-hexaaza-12-boraoctacyclo[21.6.1.1~10,14~.0~3,11~.0~4,9~.0~13,21~.0~15,20~.0~24,29~]hentriaconta-1(29),3,5,7,9,14,16,18,20,23,25,27-dodecaene (non-preferred name) DTXSID20746554 CAS 36530-06-0

Purity 97%+In StockPharmaceutical Standards
CAS No.36530-06-0
Molecular FormulaC24H40BClN6
Molecular Weight458.88 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

36530-06-0
12-Chloro-2,11,13,22,30,31-hexaaza-12-boraoctacyclo[21.6.1.1~10,14~.0~3,11~.0~4,9~.0~13,21~.0~15,20~.0~24,29~]hentriaconta-1(29),3,5,7,9,14,16,18,20,23,25,27-dodecaene (non-preferred name)
DTXSID20746554 CAS 36530-06-0 chemical structure

Description

The occurrence of 36530-06-0 12-Chloro-2,11,13,22,30,31-hexaaza-12-boraoctacyclo[21.6.1.1~10,14~.0~3,11~.0~4,9~.0~13,21~.0~15,20~.0~24,29~]hentriaconta-1(29),3,5,7,9,14,16,18,20,23,25,27-dodecaene (non-preferred name) DTXSID20746554 is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

36530-06-0 12-Chloro-2,11,13,22,30,31-hexaaza-12-boraoctacyclo[21.6.1.1~10,14~.0~3,11~.0~4,9~.0~13,21~.0~15,20~.0~24,29~]hentriaconta-1(29),3,5,7,9,14,16,18,20,23,25,27-dodecaene (non-preferred name) DTXSID20746554 (CAS 36530-06-0), molecular formula C24H40BClN6 and molecular weight 458.88 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C24H40BClN6, 36530-06-0 12-Chloro-2,11,13,22,30,31-hexaaza-12-boraoctacyclo[21.6.1.1~10,14~.0~3,11~.0~4,9~.0~13,21~.0~15,20~.0~24,29~]hentriaconta-1(29),3,5,7,9,14,16,18,20,23,25,27-dodecaene (non-preferred name) DTXSID20746554 contains a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 458.88 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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), 36530-06-0 12-Chloro-2,11,13,22,30,31-hexaaza-12-boraoctacyclo[21.6.1.1~10,14~.0~3,11~.0~4,9~.0~13,21~.0~15,20~.0~24,29~]hentriaconta-1(29),3,5,7,9,14,16,18,20,23,25,27-dodecaene (non-preferred name) DTXSID20746554 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 FormulaC24H40BClN6
Molecular Weight458.88 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at room temperature, 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)7.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1967
Halogen ContentCl-containing
Nitrogen Atoms6

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