2-Nitro-4-((trifluoromethyl)thio)aniline CAS 404-74-0
| CAS No. | 404-74-0 |
| Molecular Formula | C7H5F3N2O2S |
| Molecular Weight | 238.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-Nitro-4-((trifluoromethyl)thio)aniline.
CATO supplies 2-Nitro-4-((trifluoromethyl)thio)aniline (CAS 404-74-0), a certified reference material (molecular formula C7H5F3N2O2S, MW 238.19 g/mol) for analytical method development and quality control.
The molecular framework of 2-Nitro-4-((trifluoromethyl)thio)aniline (C7H5F3N2O2S) is characterized by an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C7H5F3N2O2S |
| Molecular Weight | 238.19 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| 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.) | 1957 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 3,4-Bis(methoxycarbonyl)benzoic acid (CAS 54699-35-3)
- N-(2-Cyano-4,5-dimethoxyphenyl)pyrrolidine-1-carbothioamide (CAS 866040-02-0)
- 2-Bromo-4-fluoro-N-(4-fluorobenzyl)aniline (CAS 1039960-80-9)
- Ethyl 3-(4-hydroxy-2-(trifluoromethyl)phenyl)propanoate (CAS 847348-52-1)
- 1,2-Oxathiepane 2,2-dioxide (CAS 4362-72-5)
- 2-Chloro-3-(difluoromethyl)-5-fluoropyridin-4-ol (CAS 1806932-01-3)
- 2,5-Dimethylfuro[2,3-d]pyrimidin-4-amine (CAS 1369247-36-8)
- 2-Methoxy-N-(1-(thiophen-2-yl)ethyl)ethan-1-amine (CAS 105325-67-5)
- 5-Cyclopropoxy-2-methoxynicotinic acid (CAS 1243396-10-2)
- 1,2,3-Trifluoro-4-iodobenzene (CAS 459424-72-7)
- Semaglutide impurity 214 (CAS CATO-C4X-2226214)
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