1-(Methylsulfonyl)-2-nitro-4-(trifluoromethyl)benzene CAS 364-48-7
| CAS No. | 364-48-7 |
| Molecular Formula | C8H6F3NO4S |
| Molecular Weight | 269.20 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 1-(Methylsulfonyl)-2-nitro-4-(trifluoromethyl)benzene (CAS 364-48-7), a certified reference material (molecular formula C8H6F3NO4S, MW 269.20 g/mol) for analytical method development and quality control.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution, 1-(Methylsulfonyl)-2-nitro-4-(trifluoromethyl)benzene is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 269.20 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.
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 | C8H6F3NO4S |
| Molecular Weight | 269.20 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 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.) | 1957 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Methylsulfonyl Standards
- 1-(Methylsulfonyl)-4-nitro-2-(trifluoromethyl)benzene (CAS 252561-91-4)
- 4-(Methylsulfonyl)-3-pyrrolidinobenzoic Acid (CAS 1000018-48-3)
- 4-(Methylsulfonyl)-2-pyrrolidinobenzoic Acid (CAS 1197193-17-1)
- 4-(Methylsulfonyl)-2-morpholinobenzaldehyde (CAS 1197193-22-8)
- 3-(Methylsulfonyl)-4-morpholinobenzaldehyde (CAS 1197193-23-9)
- 2-(Methylsulfonyl)-4-morpholinobenzaldehyde (CAS 1197193-29-5)
- 1-[4-(Methylsulfonyl)phenyl]pyrrolidine-2-carboxylic acid (CAS 1330783-57-7)
- Benzyl 3-(methylsulfonyl)azetidine-1-carboxylate (CAS 1638760-91-4)
Recommended Standards
- (e)-2-Cyano-3-(4-(difluoromethoxy)-3-methoxyphenyl)acrylic acid (CAS 885456-85-9)
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- 2-((5-(Trifluoromethyl)pyridin-2-yl)sulfonyl)acetic acid (CAS 400084-46-0)
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- 2-Ethoxy-5-fluoro-benzaldehyde (CAS 5710-35-0)
- 2-(Chloromethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 1201687-89-9)
- 2-Amino-n-(2-methoxyphenyl)benzamide (CAS 70083-21-5)
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