4-[(4h-1,2,4-triazol-3-ylsulfanyl)methyl]benzoic acid hydrochloride CAS 1258650-03-1
| CAS No. | 1258650-03-1 |
| Molecular Formula | C10H9N3O2S |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-[(4h-1,2,4-triazol-3-ylsulfanyl)methyl]benzoic acid hydrochloride.
CATO supplies 4-[(4h-1,2,4-triazol-3-ylsulfanyl)methyl]benzoic acid hydrochloride (CAS 1258650-03-1), a certified reference material (molecular formula C10H9N3O2SHCl, MW 271.72 g/mol) for analytical method development and quality control.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution, 4-[(4h-1,2,4-triazol-3-ylsulfanyl)methyl]benzoic acid hydrochloride is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 271.72 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C10H9N3O2S HCl |
| Molecular Weight | 271.72 g/mol |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related h Standards
- 4-((1H-1,2,4-Triazol-1-yl)methyl)-2-iodoaniline (CAS 1000802-40-3)
- 5-(1h-1,2,4-Triazol-1-yl)pentan-1-amine (CAS 100327-52-4)
- 4-(1H-1,2,4-triazol-1-yl)-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazol-5-ol (CAS 1007029-49-3)
- (1H-1,2,3-Triazol-4-yl)methanamine HCl (CAS 1009101-70-5)
- (2H-1,2,3-Triazol-4-yl)methanol (CAS 1012040-38-8)
- 2-(1h-1,2,3-Triazol-4-yl)ethan-1-ol (CAS 1012040-40-2)
- 2-[3-(1H-1,2,4-Triazol-1-yl)propyl]-1H-isoindole-1,3(2H)-dione (CAS 101225-88-1)
- 2-(1h-1,2,4-Triazol-1-yl)isonicotinimidamide (CAS 1016530-23-6)
Recommended Standards
- 4-(1,3-Dioxolan-2-yl)-2,5-dimethylbenzaldehyde (CAS 2137702-14-6)
- N-(6-methylpyridin-2-yl)-2-nitrobenzamide (CAS 326901-31-9)
- 3-acetyl-1-(3-aminophenyl)urea (CAS 1173087-46-1)
- Remimazolam Impurity 15 (CAS CATO-C4X-282315)
- 3-(2-Oxoacetyl)benzonitrile hydrate (CAS 1071555-51-5)
- 3-Chlorobenzo[4,5]imidazo[1,2-a]pyrimidine-2-carboxylic acid (CAS 1956331-37-5)
- Ethyl 2-(2-((4-fluorophenyl)amino)thiazol-4-yl)acetate (CAS 886499-02-1)
- n-(4-Iodophenyl)tetrahydrofuran-2-carboxamide (CAS 438455-85-7)
- 1H-1,2,4-Triazol-5-ol (CAS 122333-32-8)
- Tirzepatide Impurity 51 (CAS CATO-C4X-324051)
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