4-[(difluoromethyl)sulfanyl]aniline hydrochloride CAS 477593-83-2
| CAS No. | 477593-83-2 |
| Molecular Formula | C7H7F2NS |
| Molecular Weight | N/A |
| 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.
4-[(difluoromethyl)sulfanyl]aniline hydrochloride (CAS 477593-83-2), molecular formula C7H7F2NSHCl and molecular weight 211.65 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-[(difluoromethyl)sulfanyl]aniline hydrochloride (C7H7F2NSHCl) is characterized by a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, 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.
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 | C7H7F2NS HCl |
| Molecular Weight | 211.65 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 2,4-BIS(TRIFLUOROMETHYL)BENZENAMINE 2,4-BIS-TRIFLUOROMETHYL-PHENYLAMINE 2,4-Bis(trifluoromethyl)aniline 2,4-DITRIFLUOROMETHYLANILINE 367-71-5 AS05281 (CAS 367-71-5)
- 2,2＇,4,4＇,5,6＇-Hexabromodiphenyl Ether (CAS 207122-15-4)
- 2-Methoxy-9-methyl-9H-purin-6-amine (CAS 61494-91-5)
- 4-Phenethyl-oxazolidin-2-one (CAS 1276027-20-3)
- 5-Methyl-1-[(3-methylphenyl)methyl]-1h-pyrazol-3-amine (CAS 956729-21-8)
- 6-Methoxy-2-methyl-3-(piperidin-2-yl)pyridine (CAS 1270545-45-3)
- 4-(3-Methyl-1,2,4-oxadiazol-5-yl)pyridine (CAS 22926-74-5)
- N-((4-Phenoxyphenyl)carbamothioyl)-3-phenylacrylamide (CAS 501106-26-9)
- tert-Butyl (4-bromobenzyl)(methyl)carbamate (CAS 260809-26-5)
- Neuropeptide Y (13-36) (porcine) (CAS 113662-54-7)
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