Methyl 2-(3-(chloromethyl)benzamido)thiophene-3-carboxylate CAS 648859-85-2
| CAS No. | 648859-85-2 |
| Molecular Formula | C14H12ClNO3S |
| Molecular Weight | 309.77 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl 2-(3-(chloromethyl)benzamido)thiophene-3-carboxylate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Methyl 2-(3-(chloromethyl)benzamido)thiophene-3-carboxylate (CAS 648859-85-2), molecular formula C14H12ClNO3S and molecular weight 309.77 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Methyl 2-(3-(chloromethyl)benzamido)thiophene-3-carboxylate (C14H12ClNO3S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 309.77 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.
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 | C14H12ClNO3S |
| Molecular Weight | 309.77 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- Piperidin-3-ylmethyl-quinoxalin-2-yl-amine hydrochloride (CAS 1185319-99-6)
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- 2-Bromo-1-(tert-butyl)-4-chlorobenzene (CAS 1369776-71-5)
- 2-(Furan-2-carbonyl)cyclohexan-1-one (CAS 24038-54-8)
- Peptide Impurity 09 X TFA Salt (CAS CATO-CPTD788809)
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