2-Chloro-4-(1H-1,2,4-triazol-1-yl)benzoic acid CAS 220141-15-1
| CAS No. | 220141-15-1 |
| Molecular Formula | C9H6ClN3O2 |
| Molecular Weight | 223.62 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 2-Chloro-4-(1H-1,2,4-triazol-1-yl)benzoic acid (CAS 220141-15-1), a certified reference material (molecular formula C9H6ClN3O2, MW 223.62 g/mol) for analytical method development and quality control.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, 2-Chloro-4-(1H-1,2,4-triazol-1-yl)benzoic acid is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 223.62 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C9H6ClN3O2 |
| Molecular Weight | 223.62 g/mol |
| Appearance | Pale yellow to 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2019 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related Chloro Standards
- 1-(2-Chloro-6-nitrophenyl)-1H-imidazole (CAS 1018142-83-0)
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- 3-Chloro-4-(4H-1,2,4-triazol-4-yl)benzoic acid (CAS 1060795-62-1)
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Recommended Standards
- 2-Amino-3-chloro-1,7-naphthyridine-6-carboxylic acid (CAS 2691878-64-3)
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- 2-(4-Chlorophenyl)-2h-1,2,3-triazole-4-carboxylic acid (CAS 89522-59-8)
- 2-Chloro-5-(4H-1,2,4-triazol-4-yl)benzoic acid (CAS 842977-25-7)
- 2-(Pyrrolidin-1-yl)cyclopentan-1-ol (CAS 161193-33-5)
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- Bis(methylcyclopentadiene)nickel(II) (CAS 1293-95-4)
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- (Pro3)-Gastric Inhibitory Polypeptide (human) trifluoroacetate salt (CAS 299898-52-5)
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