2-(Cyanomethyl)-4-(1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl)thiazol-3-ium bromide CAS 317821-67-3
| CAS No. | 317821-67-3 |
| Molecular Formula | C12H9Cl3N3OS |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-(Cyanomethyl)-4-(1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl)thiazol-3-ium bromide (CAS 317821-67-3) is a high-purity analytical reference standard with the molecular formula C12H9Cl3N3OSBr and a molecular weight of 429.54 g/mol.
The molecular framework of 2-(Cyanomethyl)-4-(1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl)thiazol-3-ium bromide (C12H9Cl3N3OSBr) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine/bromine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C12H9Cl3N3OS Br |
| Molecular Weight | 429.54 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Cyanomethyl Standards
- 3-((Cyanomethyl)amino)-2-methylbenzoicacid (CAS 1000340-07-7)
- 4-(Cyanomethyl)-3-fluorobenzonitrile (CAS 1000516-58-4)
- Methyl 6-(cyanomethyl)picolinate (CAS 1000525-37-0)
- Methyl 6-(cyanomethyl)nicotinate (CAS 1000529-39-4)
- 2-(Cyanomethyl)nicotinonitrile (CAS 1000536-35-5)
- 4-(Cyanomethyl)phthalonitrile (CAS 1000540-60-2)
- 2-(Cyanomethyl)-4-fluorobenzonitrile (CAS 1000540-75-9)
- Cyanomethyl acetate (CAS 1001-55-4)
Recommended Standards
- 1-(1-(Sec-butyl)-5-chloro-1H-benzo[d]imidazol-2-yl)ethan-1-one (CAS 1253394-95-4)
- N-(4-Amino-2-methoxyphenyl)cyclobutanecarboxamide (CAS 312303-77-8)
- 147151-00-6 Ethyl Chloroacetate-13C2 (CAS 147151-00-6)
- 3-((6-Chloropyridin-3-yl)methyl)cyclohexan-1-one (CAS 909421-71-2)
- Methyl 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{5,13}]trideca-5(13),6,8,11-tetraene-11-carboxylate hydrochloride (CAS 1820717-34-7)
- 2-Amino-1-(1-ethyl-1h-pyrazol-4-yl)ethan-1-ol (CAS 1174308-75-8)
- 1,1-Dimethylethyl (1-Formylpropyl)carbamate (CAS 346690-97-9)
- 4-Chloro-3-iodo-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine (CAS 1378878-85-3)
- N-Methyl-1,5-naphthyridin-2-amine (CAS 1823962-57-7)
- Semaglutide impurity 89 (CAS CATO-C4X-222689)
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