3-Methylbenzene-1-sulfonyl fluoride CAS 454-66-0
| CAS No. | 454-66-0 |
| Molecular Formula | C5H11N3S |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 226.14 g/mol gives 3-Methylbenzene-1-sulfonyl fluoride distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 3-Methylbenzene-1-sulfonyl fluoride (CAS 454-66-0), a certified reference material (molecular formula C5H11N3SHBr, MW 226.14 g/mol) for analytical method development and quality control.
Structurally, 3-Methylbenzene-1-sulfonyl fluoride (C5H11N3SHBr) contains sulfur-containing functionality, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 1.0, corresponding to approximately 1 ring(s) or double-bond equivalent(s). With a molecular weight of 226.14 g/mol, it falls into the medium-molecular-weight range. 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 | C5H11N3S HBr |
| Molecular Weight | 226.14 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 1.0 |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Methylbenzene Standards
- 4-Methylbenzene-1,2-diamine sulfate (CAS 1084893-43-5)
- 1-N-methylbenzene-1,4-disulfonamide (CAS 1138-53-0)
- 3-Acetyl-4-methylbenzene-1-sulfonyl chloride (CAS 1152590-15-2)
- 3-methylbenzene-1,2-disulfonyl dichloride (CAS 116465-26-0)
- 117152-72-4 1,8-Bis(4-methylbenzene-1-sulfonyl)-1,4,8,11-tetraazacyclotetradecane DTXSID40557361 (CAS 117152-72-4)
- Bis[(1,2,3,4,5,6-η)-methylbenzene]molybdenum (CAS 12131-22-5)
- 1-[(4-Methylbenzene)sulfonyl]-2-nitro-1H-pyrrole (CAS 128080-58-0)
- 2-Methylbenzene-1-sulfinic acid (CAS 13165-77-0)
Recommended Standards
- 2-(4-Methanesulfonyl-phenyl)-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-ylamine (CAS 1418273-64-9)
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- 2-Chloro-4-(hydroxymethyl)phenol (CAS 105960-29-0)
- 732249-24-0 3-(2-Bromoprop-2-en-1-yl)benzoic acid DTXSID30641263 (CAS 732249-24-0)
- 4-Imino-4-methoxybutanoic Acid Methyl Ester HCl (CAS 52070-12-9)
- 17-Methyl-18-norandrosta-5,13(17)-dien-3β-ol (CAS 23930-65-6)
- 110207-62-0 Acetyl-Cholecystokinin Octapeptide (2-8) (sulfated) MFCD00133565 (CAS 110207-62-0)
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