7-Bromo-5-phenyl-1,3,4,5-tetrahydro-2H-benzo[e][1,4]diazepin-2-one CAS 17972-72-4
| CAS No. | 17972-72-4 |
| Molecular Formula | C15H13BrN2O |
| Molecular Weight | 317.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
7-Bromo-5-phenyl-1,3,4,5-tetrahydro-2H-benzo[e][1,4]diazepin-2-one (CAS 17972-72-4) is a high-purity analytical reference standard with the molecular formula C15H13BrN2O and a molecular weight of 317.18 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution, 7-Bromo-5-phenyl-1,3,4,5-tetrahydro-2H-benzo[e][1,4]diazepin-2-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 317.18 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C15H13BrN2O |
| Molecular Weight | 317.18 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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.) | 1962 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
- 4-(Benzo[d]oxazol-2-yl)-2-bromo-N,N-dimethylaniline (CAS 1706451-55-9)
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- TERT-BUTYL 4-BROMO-3,5-DIMETHOXYBENZOATE (CAS 167830-43-5)
- (2E)-1-(3-Bromophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one (CAS 358656-07-2)
- 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-(4-chlorobenzylidene)acetohydrazide (CAS 315201-05-9)
- 2-(3-Methyl-1h-pyrazol-5-yl)acetohydrazide (CAS 57245-91-7)
- 3-(3,5-Di(pyridin-4-yl)-1H-1,2,4-triazol-1-yl)propanoic acid (CAS 55785-86-9)
- 3-(Difluoromethyl)-2-fluoro-5-methylpyridin-4-amine (CAS 1805115-61-0)
- 2-Hydroxy Fluorene-d9 (CAS 922510-18-7)
- 1-[(tert-Butoxy)carbonyl]-3-(fluoromethyl)azetidine-3-carboxylic acid (CAS 1228581-12-1)
- 2-(Thiophen-3-yl)isonicotinaldehyde (CAS 1403932-10-4)
- 1-(2-Ethoxy-3,5-difluorophenyl)ethanone (CAS 1378979-11-3)
- Dronedarone Impurity 8 (CAS CATO-C4X-10928)
- Semaglutide impurity 104(Fmoc-D-His-Aib) (CAS 2171211-18-8)
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