7-Chloro-4-((3-chlorobenzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine CAS 303987-76-0
| CAS No. | 303987-76-0 |
| Molecular Formula | C16H13Cl2NS2 |
| Molecular Weight | 354.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 7-Chloro-4-((3-chlorobenzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine.
CATO supplies 7-Chloro-4-((3-chlorobenzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine (CAS 303987-76-0), a certified reference material (molecular formula C16H13Cl2NS2, MW 354.32 g/mol) for analytical method development and quality control.
Based on its molecular formula C16H13Cl2NS2, 7-Chloro-4-((3-chlorobenzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 354.32 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C16H13Cl2NS2 |
| Molecular Weight | 354.32 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-chlorobenzyl)thio)-2,3-dihydrobenzo[b][1,4]thiazepine (CAS 303987-58-8)
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Recommended Standards
- 4-(4-Fluorophenyl)-N-(4-(trifluoromethoxy)phenyl)thiazol-2-amine (CAS 497083-39-3)
- Methyl 4-(((trifluoromethyl)sulfonyl)oxy)-2H-thiochromene-7-carboxylate (CAS 2768536-02-1)
- 2-{[(3-fluorophenyl)methyl]sulfanyl}-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CAS 477857-07-1)
- N-(3-methoxypropyl)-4-(3-(trifluoromethyl)benzoyl)-1H-pyrrole-2-carboxamide (CAS 478064-59-4)
- 1-Methyl-3-((phenylthio)methyl)-1H-thieno[2,3-c]pyrazole-5-carboxylic acid (CAS 478066-83-0)
- 3-(4-(2-(3-Chlorophenyl)-2-oxoethyl)phenyl)-5-(methoxymethyl)oxazolidin-2-one (CAS 79039-02-4)
- 2-Amino-1H-purin-6(9H)-one hydrate (CAS 35020-24-7)
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- 4-iodo-6-methoxy-1H-indole (CAS 885520-43-4)
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- 1-(3-Methyl-1,2,4-oxadiazol-5-yl)-3-(methylthio)propan-1-amine hydrochloride (CAS 1573548-41-0)
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- 5-Methyl-2-(pyrrolidin-1-yl)aniline (CAS 91429-70-8)
- Tirzepatide Impurity 44 (CAS CATO-C4X-324044)
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