2-Methoxy-4,6-bis(trifluoromethyl)benzenesulfonyl chloride CAS 1706439-13-5
| CAS No. | 1706439-13-5 |
| Molecular Formula | C9H5ClF6O3S |
| Molecular Weight | 342.64 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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 supplies 2-Methoxy-4,6-bis(trifluoromethyl)benzenesulfonyl chloride (CAS 1706439-13-5), a certified reference material (molecular formula C9H5ClF6O3S, MW 342.64 g/mol) for analytical method development and quality control.
Structurally, 2-Methoxy-4,6-bis(trifluoromethyl)benzenesulfonyl chloride (C9H5ClF6O3S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 342.64 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.
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 | C9H5ClF6O3S |
| Molecular Weight | 342.64 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1994 |
| Halogen Content | F/Cl-containing |
| Sulfur Atoms | 1 |
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Recommended Standards
- 2-Bromo-5-(3-chlorophenyl)-5,6-dihydrobenzo[d]thiazol-7(4H)-one (CAS 1387574-04-0)
- 3-((3-Chloro-4-methylphenyl)amino)-1-(3,4-dichlorophenyl)propan-1-one (CAS 724751-83-1)
- 2-Bromo-5-(4-chlorophenyl)-5,6-dihydrobenzo[d]thiazol-7(4H)-one (CAS 1387573-86-5)
- 5-(2-Chloro-4-(trifluoromethyl)phenoxy)isobenzofuran-1,3-dione (CAS 74861-12-4)
- 3-bromo-5-chloro-4-fluorobenzoic acid (CAS 176548-68-8)
- 5,6-Diamino-2-thioxo-2,3-dihydropyrimidin-4(1H)-one sulfate (CAS 117043-67-1)
- N-(furan-2-ylmethyl)-2-(o-tolyloxy)ethan-1-amine (CAS 1181454-78-3)
- 6,6-Dimethyltetrahydro-2H-pyran-3-carboxylic acid (CAS 1884203-50-2)
- (R)-2-Chloromandelic Acid Ethyl Ester (CAS 421545-87-1)
- (S)-Methyl 3-((tert-butoxycarbonyl)amino)hexanoate (CAS 279256-96-1)
- Ethyl 1-(4-chloro-2-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylate (CAS 861208-40-4)
- Tert-butyl 2-(4-(tert-butyl)phenyl)-3-oxo-1,4,8-triazaspiro[4.5]Dec-1-ene-8-carboxylate (CAS 1552151-99-1)
- Ac-D-Cys(H-Cys-OH)-D-Ala-D-Arg-D-Arg-D-Arg-D-Ala-D-Ala-D-Arg-NH2 (CAS CATO-C4X-324713)
- Semaglutide impurity 40 (CAS CATO-C4X-222640)
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