4-Nitrotoluene-2,3,5,6-D4 CAS 1276197-16-0
| CAS No. | 1276197-16-0 |
| Molecular Formula | - |
| Molecular Weight | 124.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-Nitrotoluene-2,3,5,6-D4 is closely related to deuterium isotope labeling, a nitrogen-containing heterocyclic scaffold, a nitrile group in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 4-Nitrotoluene-2,3,5,6-D4 (CAS 1276197-16-0), a certified reference material (molecular formula C8D7N, MW 124.19 g/mol) for analytical method development and quality control.
Based on its molecular formula C8D7N, 4-Nitrotoluene-2,3,5,6-D4 contains deuterium isotope labeling, a nitrogen-containing heterocyclic scaffold, a nitrile group; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 124.19 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.
As a certified reference material (CRM), 4-Nitrotoluene-2,3,5,6-D4 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 Formula | C8D7N |
| Molecular Weight | 124.19 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 9.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Nitrogen Atoms | 1 |
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