6'-Bromospiro[cyclobutane-1,2'-thiochroman]-4'-one 1',1'-dioxide CAS 2198098-45-0
| CAS No. | 2198098-45-0 |
| Molecular Formula | C12H17BrO3S |
| Molecular Weight | 321.23 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.
6'-Bromospiro[cyclobutane-1,2'-thiochroman]-4'-one 1',1'-dioxide (CAS 2198098-45-0), molecular formula C12H17BrO3S and molecular weight 321.23 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 6'-Bromospiro[cyclobutane-1,2'-thiochroman]-4'-one 1',1'-dioxide (C12H17BrO3S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 321.23 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
As a certified reference material (CRM), 6'-Bromospiro[cyclobutane-1,2'-thiochroman]-4'-one 1',1'-dioxide 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 | C12H17BrO3S |
| Molecular Weight | 321.23 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1998 |
| Halogen Content | Br-containing |
| Sulfur Atoms | 1 |
Related Bromospiro Standards
- 7'-Bromospiro[cyclobutane-1,2'-thiochroman]-4'-one 1',1'-dioxide (CAS 2198384-34-6)
- 1'-Acetyl-6-bromospiro[indoline-3,4'-piperidin]-2-one (CAS 1160248-50-9)
- 7-Bromospiro[chromane-2,3'-thietan]-4-one 1',1'-dioxide (CAS 2200003-26-3)
- 3'-Bromospiro[cyclohexane-1,9'-fluorene] (CAS 1547491-59-7)
- 2'-Bromospiro[cyclohexane-1,9'-fluorene] (CAS 797056-48-5)
- 2'-Bromospiro[[1,3]dithiolane-2,9'-fluorene] (CAS 113425-37-9)
- 2-Bromospiro[fluorene-9,2'-[1,3]dioxolane] (CAS CATO-CIM-101728)
- 5'-Bromospiro[[1,3]dithiolane-2,3'-indolin]-2'-one (CAS 113549-10-3)
Recommended Standards
- 4-Bromo-n-(2-(dimethylamino)ethyl)-3-methylbenzenesulfonamide (CAS 923228-46-0)
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- tert-Butyl 2-bromo-3a,4,7,7a-tetrahydrothiazolo[5,4-c]pyridine-5(6H)-carboxylate (CAS 2797252-86-7)
- 2-Nitronaphthalen-1-yl trifluoromethanesulfonate (CAS 253270-06-3)
- 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 4-chlorobenzenesulfonate (CAS 331461-14-4)
- 5-(4-(3,4,5-Trimethoxyphenyl)piperazin-1-yl)pyrrolidin-2-one (CAS 91703-26-3)
- N-(4-Amino-3-methylphenyl)methanesulfonamide (CAS 108791-97-5)
- 3-Chloro-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzaldehyde (CAS 384857-10-7)
- (S)-4,4-difluoro-5-oxopyrrolidine-2-carboxylic acid (CAS 1932456-62-6)
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- [(2-Oxo-2H-chromen-7-yl)oxy]acetic acid (CAS 126424-85-9)
- Tirzepatide Impurity 33 (CAS CATO-C4X-324033)
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