4-(((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoic acid CAS 678558-55-9
| CAS No. | 678558-55-9 |
| Molecular Formula | C21H15BrN4O2S |
| Molecular Weight | 467.34 g/mol |
| 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-(((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoic acid.
CATO supplies 4-(((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoic acid (CAS 678558-55-9), a certified reference material (molecular formula C21H15BrN4O2S, MW 467.34 g/mol) for analytical method development and quality control.
Structurally, 4-(((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoic acid (C21H15BrN4O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 467.34 g/mol, it falls into the moderately-high-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.
CATO manufactures 4-(((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C21H15BrN4O2S |
| Molecular Weight | 467.34 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Bromophenyl Standards
- N-(5-((2-((4-Bromophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide (CAS 393566-95-5)
- 5-(2-Bromophenyl)-1-trityl-1H-tetrazole (CAS 143945-72-6)
- 4-(3-Bromophenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide (CAS 493017-13-3)
- 4-(4-Bromophenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide (CAS 494195-88-9)
- 3-(2-Bromophenyl)-5-(((6-(4-isopropylphenyl)pyridazin-3-yl)thio)methyl)-1,2,4-oxadiazole (CAS 1114915-42-2)
- 3-(4-Bromophenyl)-5-(((6-(4-isopropylphenyl)pyridazin-3-yl)thio)methyl)-1,2,4-oxadiazole (CAS 1115285-89-6)
- 3-(4-Bromophenyl)-5-morpholino-7-(phenylamino)-1,4-thiazepine-6-carbonitrile (CAS 338401-14-2)
- N-(4-(((4-bromophenyl)thio)methyl)phenyl)-3,5-dichlorobenzamide (CAS 321431-77-0)
Recommended Standards
- 2-Bromo-N-(5-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide (CAS 392297-58-4)
- (R)-tert-Butyl (3-(3-iodophenoxy)-3-phenylpropyl)(methyl)carbamate (CAS 2593289-71-3)
- tert-butyl N-tert-butoxycarbonyl-N-(3-iodoimidazo[1,2-a]pyridin-6-yl)carbamate (CAS 2698371-92-3)
- PF-06821497, >98% (HPLC) (CAS 1844849-11-1)
- Ethyl 2-amino-3-(pyridin-3-yl)propanoate (CAS 66423-60-7)
- 1-(4-Cyanophenyl)-n-(3-methylbutan-2-yl)methanesulfonamide (CAS 923687-40-5)
- Methyl 2-amino-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate (CAS 941866-53-1)
- Methyl 7-chloro-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate (CAS 261503-61-1)
- 1-(thiolan-3-yl)methanamine (CAS 933701-07-6)
- Diethyl but-3-en-1-ylphosphonate (CAS 15916-48-0)
- 1-Bromo-2,4,4-trimethylpentane (CAS 30295-24-0)
- 6-(Aminomethyl)-3-propylbenzo[d]oxazol-2(3h)-one (CAS 1342612-81-0)
- Methyl 2-bromo-3-(4-fluorophenyl)propanoate (CAS 82455-06-9)
- Insulin Degludec Impurity 2 (CAS CATO-C4X-21572)
Why CATO?
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