5-(3-Chlorophenyl)-4h-1,2,4-triazole-3-carboxylic acid CAS 944897-45-4
| CAS No. | 944897-45-4 |
| Molecular Formula | C9H6ClN3O2 |
| Molecular Weight | 223.62 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-(3-Chlorophenyl)-4h-1,2,4-triazole-3-carboxylic acid (CAS 944897-45-4), molecular formula C9H6ClN3O2 and molecular weight 223.62 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C9H6ClN3O2, 5-(3-Chlorophenyl)-4h-1,2,4-triazole-3-carboxylic acid contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 223.62 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related Chlorophenyl Standards
- 1-(4-chlorophenyl)-3,3,3-trifluoropropan-1-amine (CAS 1016531-10-4)
- 1-(2-Chlorophenyl)-1h-1,2,3-triazole-5-carboxylic acid (CAS 101870-66-0)
- 1-(2-Chlorophenyl)-1h-1,2,3-triazole-4-carboxylic acid (CAS 1038261-38-9)
- 5-(4-Chlorophenyl)-4h-1,2,4-triazole-3-carboxylic acid (CAS 107469-74-9)
- 1-(4-Chlorophenyl)-1h-1,2,3-triazole-4-carboxylic acid (CAS 113934-32-0)
- 1-(4-Chlorophenyl)-2,2,2-trifluoro-N-methylethan-1-amine (CAS 1154312-42-1)
- 3-(4-Chlorophenyl)-1,1,1-trifluoropropan-2-amine (CAS 1242340-06-2)
- 1-(3-Chlorophenyl)-3,3,3-trifluoropropan-1-amine (CAS 1250269-66-9)
Recommended Standards
- 4-Chloro-N-ethyl-3-(trifluoromethyl)aniline (CAS 42265-87-2)
- 5-Chloro-2-(1h-1,2,4-triazol-1-yl)benzoic acid (CAS 629655-19-2)
- 4-Chloro-2-methyl-6-nitroquinazoline (CAS 74151-22-7)
- 7-Amino-6-chloro-1,8-naphthyridine-3-carboxylic acid (CAS 2691878-59-6)
- 3-Amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CAS 255909-24-1)
- Benzyl 2-((tert-butoxycarbonyl)amino)pyrrolidine-1-carboxylate (CAS 57173-60-1)
- (5-Fluoro-2-nitrophenyl)(2,4,6-trimethoxyphenyl)iodonium 4-methylbenzenesulfonate (CAS 1868173-33-4)
- (R)-2-(dibenzylamino)-3-phenylpropan-1-ol (CAS 307532-06-5)
- Ethyl 2-ethyl-3-hydroxybutanoate (CAS 5465-11-2)
- methyl 2-(6-bromo-8-fluoro-3-quinolyl)acetate (CAS 2306276-87-7)
- 2-(5-Methoxy-2H-tetrazol-2-yl)acetic acid (CAS 682346-79-8)
- 1-(2-Bromo-3-nitrophenyl)ethanone (CAS 135007-62-4)
- 3-Azabicyclo[3.2.0]heptan-2-one (CAS 34097-50-2)
- Endo-[Glu]31-Liraglutide (CAS CATO-C4X-199234)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com