3-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-phenyl 2-bromobutanoate CAS 1192805-64-3
| CAS No. | 1192805-64-3 |
| Molecular Formula | C17H15BrN2O4S |
| Molecular Weight | 423.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 423.28 g/mol gives 3-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-phenyl 2-bromobutanoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-phenyl 2-bromobutanoate (CAS 1192805-64-3) is a high-purity analytical reference standard with the molecular formula C17H15BrN2O4S and a molecular weight of 423.28 g/mol.
Structurally, 3-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-phenyl 2-bromobutanoate (C17H15BrN2O4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 423.28 g/mol, it falls into the moderately-high-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.
As a certified reference material (CRM), 3-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-phenyl 2-bromobutanoate 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 | C17H15BrN2O4S |
| Molecular Weight | 423.28 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Dioxido Standards
- 3-(1,1-Dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)-7-fluoro-4-hydroxy-1-isopentylquinolin-2(1H)-one (CAS 477930-58-8)
- N-(5,5-Dioxido-3-(p-tolyl)tetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-3-nitrobenzamide (CAS 618396-90-0)
- 2-{[(1,1-Dioxido-1,2-benzisothiazol-3-yl)-(1-naphthyl)amino]methyl}phenol (CAS 442571-99-5)
- 2-((1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-N-isopropyl-N-phenylbenzamide (CAS 866153-09-5)
- 3-(1,1-Dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)-4-hydroxy-1-isopentylquinolin-2(1H)-one (CAS 303776-89-8)
- Ethyl 2-(4-(1,1-dioxido-1,2-thiazinan-2-yl)benzamido)benzoate (CAS 941900-47-6)
- (1,1-Dioxido-4-(4-(trifluoromethoxy)phenyl)-4H-benzo[b][1,4]thiazin-2-yl)(phenyl)methanone (CAS 1114658-64-8)
- 1-Butyl-3-(1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinone 303776-83-2 (CAS 303776-83-2)
Recommended Standards
- Axitinib Impurity 32 (CAS CATO-C4X-107132)
- 4,4'-(Benzo[c][1,2,5]selenadiazole-4,7-diyl)dibenzoicacid (CAS 1862239-04-0)
- 4-(2,6-Dichlorophenyl)-2-[(E)-2-[(4-fluorophenyl)amino]ethenyl]-6-methylpyridine-3,5-dicarbonitrile (CAS 303148-17-6)
- Dasatinib Impurity 59 (CAS CATO-C4X-160759)
- 1-Tert-butoxycarbonyl-4-(hydroxymethyl)piperidine-4-carboxylicacid (CAS 193023-00-6)
- 4-Propyl-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol (CAS 90871-45-7)
- 3-[carboxy(hydroxy)methyl]benzoic acid (CAS 54440-90-3)
- tert-Butyl (3,4-difluoro-1-oxaspiro[4.5]decan-8-yl)carbamate (CAS 2770345-73-6)
- 1,3-Dibromo-5-(4-methylbenzyl)benzene (CAS 2586126-69-2)
- N,N-Dimethyl-4-(trimethylsilyl)aniline (CAS 16087-24-4)
- 4-Mercapto-4-methylpentanoic Acid (CAS 140231-31-8)
- 2-Chloro-7-methoxy-1,5-naphthyridine (CAS 1236222-03-9)
- Tert-butyl 3-(hydroxymethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate (CAS 1251014-83-1)
- Peptide Impurity 26 (CAS 1350456-66-4)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com