2-(Benzylsulfonyl)-1-nitro-4-(trifluoromethyl)benzene CAS 866137-59-9
| CAS No. | 866137-59-9 |
| Molecular Formula | C14H10F3NO4S |
| Molecular Weight | 345.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 2-(Benzylsulfonyl)-1-nitro-4-(trifluoromethyl)benzene (CAS 866137-59-9), a certified reference material (molecular formula C14H10F3NO4S, MW 345.29 g/mol) for analytical method development and quality control.
The molecular framework of 2-(Benzylsulfonyl)-1-nitro-4-(trifluoromethyl)benzene (C14H10F3NO4S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine 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. 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.
As a certified reference material (CRM), 2-(Benzylsulfonyl)-1-nitro-4-(trifluoromethyl)benzene meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C14H10F3NO4S |
| Molecular Weight | 345.29 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Benzylsulfonyl Standards
- 5-(Benzylsulfonyl)-4-bromo-2-methylpyridazin-3(2H)-one (CAS 97120-13-3)
- 2-(Benzylsulfonyl)-1,1-diphenylethan-1-ol (CAS 251307-46-7)
- 1-(4-((Benzylsulfonyl)methyl)-4-hydroxypiperidin-1-yl)-2,2-dimethylpropan-1-one (CAS 865659-38-7)
- 1-{4-[(benzylsulfonyl)methyl]-4-hydroxypiperidino}-3-methyl-1-butanone (CAS 865659-37-6)
- 4-(Benzylsulfonyl)-N-(4-fluorophenyl)butanamide (CAS 922468-34-6)
- 2-(Benzylsulfonyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 400074-81-9)
- 4-(Benzylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid (CAS 1858249-67-8)
- N1-(Benzylsulfonyl)-N1-(m-tolyl)oxalamide (CAS 56368-29-7)
Recommended Standards
- (5-((3,5-Dichlorophenyl)thio)-1-ethyl-4-isopropyl-1H-imidazol-2-yl)methanol (CAS 178979-14-1)
- 2-[3-(Trifluoromethyl)phenylsulfonamido]benzoic Acid (CAS 306955-85-1)
- tert-Butyl 2-oxo-4-(((trifluoromethyl)sulfonyl)oxy)-5,6-dihydropyridine-1(2H)-carboxylate (CAS 1345469-25-1)
- 3-((3-(Trifluoromethyl)phenyl)sulfonamido)benzoic acid (CAS 613657-60-6)
- 5-(1-methyl-1H-imidazol-2-yl)-1,3,4-oxadiazol-2-amine (CAS 1421601-89-9)
- 2-(3-(3,4,5-Trifluorophenyl)propanoyl)benzonitrile (CAS 898777-70-3)
- Pimaric acid (purified) (CAS 127-27-5)
- 4-Chloro-2-(pyrrolidin-1-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (CAS 1310384-39-4)
- 2-Hydrazinyl-4-(4-propylphenyl)thiazole (CAS 886495-53-0)
- 3-Amino-2-(benzyloxy)-5-chlorophenyl benzoate (CAS 1221792-91-1)
- Bis(3-chlorophenyl)methanone (CAS 7094-34-0)
- tert-Butyl 4-Amino-2-chlorobenzoate (CAS 75294-49-4)
- 5-Amino-1-cyclopentyl-1H-pyrazole-4-carboxamide (CAS 666235-33-2)
- Tirzepatide Impurity 45 (CAS CATO-C4X-324045)
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