Methyl 2-[(chloroacetyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate CAS 905011-06-5
| CAS No. | 905011-06-5 |
| Molecular Formula | C18H18ClNO3S |
| Molecular Weight | 363.86 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C18H18ClNO3S, Methyl 2-[(chloroacetyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 363.86 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
CATO supplies Methyl 2-[(chloroacetyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 905011-06-5), a certified reference material (molecular formula C18H18ClNO3S, MW 363.86 g/mol) for analytical method development and quality control.
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 manufactures Methyl 2-[(chloroacetyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C18H18ClNO3S |
| Molecular Weight | 363.86 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Methyl Standards
- 2,10-Bis(2-chloroacetyl)-2,4,10-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one (CAS 866155-03-5)
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Recommended Standards
- 4-Chloro-n-(2-(diisopropylamino)ethyl)-3-nitrobenzenesulfonamide (CAS 744242-80-6)
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- 2-Chloro-N-[3-(4-methoxy-benzoyl)-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl]-acetamide (CAS 919023-03-3)
- N-([1,1'-biphenyl]-4-yl)-3-chlorobenzo[b]thiophene-2-carboxamide (CAS 332156-27-1)
- 3-(Dimethylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-one (CAS 634924-04-2)
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