3-((4-Bromophenyl)thio)benzo[b]thiophene-2-carbaldehyde CAS 477868-30-7
| CAS No. | 477868-30-7 |
| Molecular Formula | C15H9BrOS2 |
| Molecular Weight | 349.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-((4-Bromophenyl)thio)benzo[b]thiophene-2-carbaldehyde (CAS 477868-30-7), molecular formula C15H9BrOS2 and molecular weight 349.27 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-((4-Bromophenyl)thio)benzo[b]thiophene-2-carbaldehyde (C15H9BrOS2) contains sulfur-containing functionality, a hydroxyl group, an ether linkage, bromine substitution, a polycyclic aromatic system. 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 349.27 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.
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), 3-((4-Bromophenyl)thio)benzo[b]thiophene-2-carbaldehyde 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 | C15H9BrOS2 |
| Molecular Weight | 349.27 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Sulfur Atoms | 2 |
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Recommended Standards
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- 1-(6-((2-Hydroxyethyl)(methyl)amino)naphthalen-2-yl)ethan-1-one (CAS 259739-00-9)
- 4-Bromo-N-cyclohexyl-5-methoxy-2-nitroaniline (CAS 1365272-51-0)
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