2-(5'-BRomo-[2,2'-bithiophen]-5-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione CAS 1104636-79-4
| CAS No. | 1104636-79-4 |
| Molecular Formula | C13H11BBrNO4S2 |
| Molecular Weight | 400.08 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-(5'-BRomo-[2,2'-bithiophen]-5-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione (CAS 1104636-79-4), molecular formula C13H11BBrNO4S2 and molecular weight 400.08 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 2-(5'-BRomo-[2,2'-bithiophen]-5-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione (C13H11BBrNO4S2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine 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.
Physical & Chemical Properties
| Molecular Formula | C13H11BBrNO4S2 |
| Molecular Weight | 400.08 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 8.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |
Related BRomo Standards
- 1,3-Bis(5-bromo-3-methylpyridin-2-yl)urea (CAS 1263208-76-9)
- 3-Bromo-4-[(4-bromobenzyl)oxy]-5-methoxybenzaldehyde (CAS 381238-98-8)
- 8-Bromo-4-((2,4-dichlorobenzyl)thio)cinnoline (CAS 92429-71-5)
- 1,2-Bis(5-bromo-2-hydroxyphenyl)ethane-1,2-dione (CAS 523-88-6)
- 1087659-26-4 2-Bromo-6-iodopyridin-3-yl tert-butyl carbonate DTXSID60670142 (CAS 1087659-26-4)
- 1142192-37-7 2-Bromo-5-iodopyridin-3-yl tert-butyl carbonate 9205AC C10H11BrINO3 (CAS 1142192-37-7)
- 3-Bromo-4-(2-iodophenoxy)-benzonitrile (CAS 1325219-94-0)
- 2-{[5-bromo-2-(trifluoromethoxy)phenyl]methyl}isoindole-1,3-dione (CAS 1858255-07-8)
Recommended Standards
- Crizotinib Impurity 74 (CAS CATO-C4X-102574)
- 1H,1H-Perfluorooctan-1-ol (CAS 307-30-2)
- 1-Trifluoroacetyl-3-heptafluoropropyl-5-(trifluoromethyl)pyrazole (CAS 261778-39-6)
- 2-Octene,1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluoro- 65500-50-7 (CAS 65500-50-7)
- Ethyl 1-phenylpiperidine-4-carboxylate (CAS 247022-37-3)
- 2-(Methylamino)-N-(2-(trifluoromethyl)phenyl)acetamide hydrochloride (CAS 1170211-32-1)
- 5-Chloro-3-((4-chlorophenyl)sulfonyl)-2-methyl-1H-indole-6-carbonitrile (CAS 646514-54-7)
- 2-Phenyl-3-styryl-5-(p-tolyl)isoxazolidine (CAS 120781-95-5)
- Ethyl 2-(bromomethyl)-5-fluoro-4-nitrobenzoate (CAS 2102177-39-7)
- 3-Phenyl-1H-1,2,4-triazol-5-amine hydrochloride (CAS 10495-62-2)
- 5-(4-methoxyphenoxy)pyridine-2-carboxylic acid (CAS 72133-36-9)
- 7-Methoxy-3-methylquinoxalin-2(1H)-one (CAS 117237-99-7)
- Ceftriaxone EP Impurity E (CAS CATO-C4X-11637)
- (D-Ala1)-Peptide T amide (CAS 106362-34-9)
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