7-Bromo-5-(2-chlorophenyl)-1,3-dihydro-2H-thieno[2,3-e]-1,4-diazepin-2-one CAS 40017-65-0
| CAS No. | 40017-65-0 |
| Molecular Formula | C13H8BrClN2OS |
| Molecular Weight | 355.64 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
7-Bromo-5-(2-chlorophenyl)-1,3-dihydro-2H-thieno[2,3-e]-1,4-diazepin-2-one (CAS 40017-65-0), molecular formula C13H8BrClN2OS and molecular weight 355.64 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 7-Bromo-5-(2-chlorophenyl)-1,3-dihydro-2H-thieno[2,3-e]-1,4-diazepin-2-one (C13H8BrClN2OS) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine/bromine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C13H8BrClN2OS |
| Molecular Weight | 355.64 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| 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.) | 1968 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- (S)-1-(3-methoxyphenyl)but-3-en-1-amine (CAS 1269930-65-5)
- 4-Ethyl-2,6-dimethylpyridin-3-ol (CAS 90642-87-8)
- Phloroglucinol Impurity 16 (CAS 120991-47-1)
- 3-Nitro-4-(phenylthio)benzyl 3-(trifluoromethyl)benzoate (CAS 320424-14-4)
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- Atrial Natriuretic Peptide (ANP)(1-28) Alpha (Human, Ovine, Canine) (CAS 91917-63-4)
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