1,3-Dimethyl-1H-benzo[d]imidazol-3-ium iodide hydrate CAS 5470-77-9

Purity 97%+In StockPharmaceutical Standards
CAS No.5470-77-9
Molecular FormulaC9H11N2
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1,3-Dimethyl-1H-benzo[d]imidazol-3-ium iodide hydrate CAS 5470-77-9 chemical structure

Description

The occurrence of 1,3-Dimethyl-1H-benzo[d]imidazol-3-ium iodide hydrate is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, iodine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

1,3-Dimethyl-1H-benzo[d]imidazol-3-ium iodide hydrate (CAS 5470-77-9) is a high-purity analytical reference standard with the molecular formula C9H11N2I and a molecular weight of 274.10 g/mol.

Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, iodine substitution, 1,3-Dimethyl-1H-benzo[d]imidazol-3-ium iodide hydrate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 274.10 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.

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 FormulaC9H11N2 I
Molecular Weight274.10 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)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1958
Halogen ContentI-containing
Nitrogen Atoms2

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