2-Methyl-1h-1,3-benzodiazole-5-carboxylic acid hydrochloride CAS 93089-86-2
| CAS No. | 93089-86-2 |
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-Methyl-1h-1,3-benzodiazole-5-carboxylic acid hydrochloride is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-Methyl-1h-1,3-benzodiazole-5-carboxylic acid hydrochloride (CAS 93089-86-2), molecular formula C9H8N2O2HCl and molecular weight 212.63 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-Methyl-1h-1,3-benzodiazole-5-carboxylic acid hydrochloride (C9H8N2O2HCl) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 212.63 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 Formula | C9H8N2O2 HCl |
| Molecular Weight | 212.63 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1983 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
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- 1-(5-(Trifluoromethyl)indolin-1-yl)ethanone (CAS 1440538-41-9)
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- 1-Cyclopropyl-2-(4-((2,4-difluorophenyl)sulfonyl)piperazin-1-yl)ethan-1-ol (CAS 1396799-61-3)
- 4-(5-Chloro-1H-benzo[d]imidazol-2-yl)morpholine (CAS 333771-44-1)
- 7-Bromo-5-iodo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indazole (CAS 2870012-02-3)
- 5-(2-Chlorophenyl)picolinaldehyde (CAS 65219-37-6)
- 6-(2-(Benzyloxy)ethoxy)-5-methoxy-1H-indole (CAS 399580-10-0)
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