Trans-2-bromo-7-fluoro-5-phenyl-6,7-dihydro-5h-pyrrolo[1,2-b][1,2,4]triazole CAS 2268741-29-1
| CAS No. | 2268741-29-1 |
| Molecular Formula | C11H9BrFN3 |
| Molecular Weight | 282.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies Trans-2-bromo-7-fluoro-5-phenyl-6,7-dihydro-5h-pyrrolo[1,2-b][1,2,4]triazole (CAS 2268741-29-1), a certified reference material (molecular formula C11H9BrFN3, MW 282.11 g/mol) for analytical method development and quality control.
Structurally, Trans-2-bromo-7-fluoro-5-phenyl-6,7-dihydro-5h-pyrrolo[1,2-b][1,2,4]triazole (C11H9BrFN3) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 282.11 g/mol, it falls into the medium-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.
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 | C11H9BrFN3 |
| Molecular Weight | 282.11 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1998 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 3 |
Related Trans Standards
- 3-Bromo-5-((3-fluorobenzyl)oxy)pyridine (CAS 1121592-90-2)
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- 3-Bromo-4-(3-fluorophenoxy)aniline (CAS 1250486-42-0)
- 4-(4-Bromo-3,5-difluorophenyl)thiosemicarbazide (CAS 1263376-23-3)
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Recommended Standards
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- 5-Bromo-2-(2-fluorophenoxy)aniline (CAS 946700-02-3)
- Famotidine Impurity 53 (CAS CATO-C4X-139253)
- 1-Amino-2-benzoyl-4-bromoanthracene-9,10-dione (CAS 18929-05-0)
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- 1,5-Diethynyl-2,4-dimethylbenzene (CAS 1379822-09-9)
- (3-Fluoro-4-(2-morpholinoethoxy)phenyl)boronic acid (CAS 1704064-15-2)
- 2-((1-Methyl-1h-pyrazol-4-yl)methyl)cyclopentan-1-ol (CAS 1457781-37-1)
- N-((2,3-Dihydro-8-Methoxy-1-Methyl-5-(3-Thienyl)-1H-1,4-Benzodiazepin-2-ylMethyl)-4-(Trifluoromethyl)-Benzamide Monohydrochloride (CAS 84671-54-5)
- 9H-Purine (CAS 51953-03-8)
- (1-Bromocyclopropyl)benzene (CAS 77197-87-6)
- (R)-1-(1-Methyl-4-nitro-1H-pyrazol-5-yl)pent-4-en-1-ol (CAS 1956435-85-0)
- Renin Inhibitor Peptide (CAS 50410-01-0)
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