2-Nitrotoluene-3,4,5,6-d4 CAS 115049-76-8

Purity 97%+In StockPharmaceutical Standards
CAS No.115049-76-8
Molecular Formula-
Molecular Weight141.16 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Nitrotoluene-3,4,5,6-d4 CAS 115049-76-8 chemical structure

Description

The occurrence of 2-Nitrotoluene-3,4,5,6-d4 is closely related to deuterium isotope labeling, an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

2-Nitrotoluene-3,4,5,6-d4 (CAS 115049-76-8), molecular formula C7H3D4NO2 and molecular weight 141.16 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 2-Nitrotoluene-3,4,5,6-d4 (C7H3D4NO2) contains deuterium isotope labeling, an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 141.16 g/mol, it falls into the low-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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), 2-Nitrotoluene-3,4,5,6-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 FormulaC7H3D4NO2
Molecular Weight141.16 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
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.)1989
Nitrogen Atoms1

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