2-((Difluoromethyl)thio)-3-methylbenzo[d]thiazol-3-ium trifluoromethanesulfonate CAS 2450350-44-2
| CAS No. | 2450350-44-2 |
| Molecular Formula | C9H8F2NS2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution, 2-((Difluoromethyl)thio)-3-methylbenzo[d]thiazol-3-ium trifluoromethanesulfonate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 381.35 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.
CATO supplies 2-((Difluoromethyl)thio)-3-methylbenzo[d]thiazol-3-ium trifluoromethanesulfonate (CAS 2450350-44-2), a certified reference material (molecular formula C9H8F2NS2CF3O3S, MW 381.35 g/mol) for analytical method development and quality control.
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 | C9H8F2NS2 CF3O3S |
| Molecular Weight | 381.35 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2000 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 3 |
Related Difluoromethyl Standards
- 2-(2-(Difluoromethyl)phenyl)acetic acid (CAS 1000517-62-3)
- 2-[4-(difluoromethyl)phenyl]acetic acid (CAS 1000524-74-2)
- 2-(4-(Difluoromethyl)phenyl)acetonitrile (CAS 1000529-64-5)
- 2-(3-(Difluoromethyl)phenyl)acetonitrile (CAS 1000529-78-1)
- 2-(4-(Difluoromethyl)phenyl)ethan-1-amine (CAS 1000539-08-1)
- 2-(3-(Difluoromethyl)phenyl)acetic acid (CAS 1000547-15-8)
- 2-(2-(Difluoromethyl)phenyl)acetonitrile (CAS 1000556-48-8)
- 2-(2-(Difluoromethyl)phenyl)ethanamine (CAS 1000559-85-2)
Recommended Standards
- (3-(Benzo[d]thiazol-2-yl)pyrazin-2-yl)(indolin-1-yl)methanone (CAS 873856-72-5)
- Ethyl 3-fluoro-5-(trifluoromethyl)benzoate (CAS 250682-12-3)
- 4-Aminohexan-2-one hydrochloride (CAS 801290-67-5)
- 1,2,3,4,6,9-Hexamethyldibenzo[b,d]furan (CAS 62787-23-9)
- 3-Imidazo[1,2-a]pyridin-2-ylpropanoic acid (CAS 887405-28-9)
- 7-Bromo-6-methoxy-2-nitro-3-phenylbenzofuran (CAS 58468-53-4)
- Minodronic Acid Impurity 15 (CAS CATO-C4X-124115)
- Promethazine impurity 60 (CAS CATO-C4X-141860)
- 5-((6-Chloropyridazin-3-yl)methyl)-2-(2-fluorophenyl)-5H-imidazo[4,5-c]pyridine (CAS 1000787-76-7)
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