3,4,5-Trichlorothiophene-2-carbaldehyde CAS 66729-79-1
| CAS No. | 66729-79-1 |
| Molecular Formula | C5HCl3OS |
| Molecular Weight | 215.48 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.
CATO supplies 3,4,5-Trichlorothiophene-2-carbaldehyde (CAS 66729-79-1), a certified reference material (molecular formula C5HCl3OS, MW 215.48 g/mol) for analytical method development and quality control.
Structurally, 3,4,5-Trichlorothiophene-2-carbaldehyde (C5HCl3OS) contains sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. 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 215.48 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
Physical & Chemical Properties
| Molecular Formula | C5HCl3OS |
| Molecular Weight | 215.48 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1976 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 1 |
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