7-Chloro-4-((4-methylbenzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine CAS 477855-38-2
| CAS No. | 477855-38-2 |
| Molecular Formula | C17H16ClNS2 |
| Molecular Weight | 333.90 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 7-Chloro-4-((4-methylbenzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
7-Chloro-4-((4-methylbenzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine (CAS 477855-38-2) is a high-purity analytical reference standard with the molecular formula C17H16ClNS2 and a molecular weight of 333.90 g/mol.
Structurally, 7-Chloro-4-((4-methylbenzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine (C17H16ClNS2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 333.90 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), 7-Chloro-4-((4-methylbenzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine 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 | C17H16ClNS2 |
| Molecular Weight | 333.90 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |
Related Chloro Standards
- 7-Chloro-4-((2-methylbenzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine (CAS 477860-41-6)
- 7-Chloro-4-((3-methylbenzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine (CAS 303987-77-1)
- 5-Chloro-N-[2-(1,3-dimethylbutyl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide (CAS 879882-76-5)
- N-[2-(4-Chloro-3,5-dimethylphenoxy)ethyl]-2-isopropoxyaniline (CAS 1040682-70-9)
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- N-[2-(4-Chloro-3-methylphenoxy)ethyl]-2-isobutoxyaniline (CAS 1040694-43-6)
- 1-((5-Chloro-4-hydrazinylpyridin-3-yl)sulfonyl)-4-isopropylpiperazine (CAS 1352507-54-0)
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Recommended Standards
- 1-Bromo-3-(bromomethyl)-5-(trifluoromethoxy)benzene (CAS 1031929-10-8)
- 1,5-Dibromo-2-methoxy-3-(trifluoromethyl)benzene (CAS 1124144-68-8)
- 4,5-Diiodo-2-methylimidazole (CAS 73746-44-8)
- 1,2-Dibromo-3-methyl-5-(trifluoromethoxy)benzene (CAS 1210290-24-6)
- 2-Butylbenzo[d]thiazole (CAS 54798-95-7)
- 2-((3-(2-Chlorophenyl)-1,2,4-thiadiazol-5-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide (CAS 864919-59-5)
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- 2-(4-(Chloromethyl)phenyl)-5-methylpyridine (CAS 1422983-33-2)
- 3,5-Dibromo-4-isopropoxypyridine (CAS 1357094-88-2)
- (R)-1-(2-methoxyphenyl)butan-1-amine (CAS 177726-46-4)
- Methyl 2-(7-bromo-1H-benzo[d]imidazol-6-yl)acetate (CAS 1805750-78-0)
- 144386-82-3 2-Nitro-7-fluoranthenol 7-Hydroxy-2-nitrofluoranthene (CAS 144386-82-3)
- Ceftriaxone Impurity 33 (CAS CATO-C4X-116333)
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