Etravirine Impurity 5 CAS 1398507-09-9
| CAS No. | 1398507-09-9 |
| Molecular Formula | C11H7BrClN5 |
| Molecular Weight | 324.56 g/mol |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of Etravirine Impurity 5 (C11H7BrClN5) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine/bromine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a process- or degradation-related impurity, Etravirine Impurity 5 (CAS 1398507-09-9, C11H7BrClN5) is essential for impurity profiling, related-substances testing, and forced-degradation studies in pharmaceutical development.
Recommended for quantitative analysis by HPLC, GC, LC-MS/MS, or GC-MS as an external calibration standard; it can also be used for spiked-recovery experiments, LOD/LOQ determination, and LC-MS/MS multiple-reaction-monitoring (MRM) calibration.
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 | C11H7BrClN5 |
| Molecular Weight | 324.56 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | >90% |
| 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.) | 1991 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 5 |
Related Etravirine Standards
- Etravirine Impurity 1 (CAS 1263409-98-8)
- Etravirine Impurity N1 (CAS 939431-68-2)
- Etravirine Impurity 4 (CAS CATO-C4X-13564)
- Etravirine Impurity N2 (CAS 1070377-34-2)
- Etravirine 6-Desamino 5-Chloro Impurity (CAS 269055-05-2)
- Etravirine Impurity 2 (CAS 1225383-64-1)
- Etravirine Impurity 3 (CAS CATO-C4X-13563)
- Etravirine Iimpurity 9 (CAS 269055-19-8)
Recommended Standards
- 2-{6-bromo-3H-imidazo[4,5-b]pyridin-2-yl}-4-chlorophenol (CAS 863669-38-9)
- 6-Chloro-5-iodo-2-(methylthio)-1H-benzo[d]imidazole (CAS 1219741-22-6)
- 4,4,7-Triethoxy-7-methyl-3,8-dioxa-4,7-disiladecane (CAS 18418-54-7)
- tert-Butyl (3-bromo-5-chloro-2-fluorophenyl)carbamate (CAS 1269232-94-1)
- Calcium Folinate EP Impurity E calcium salt (CAS CATO-C4X-22417)
- Paclitaxel Impurity 53 (CAS CATO-C4X-184253)
- Labetalol EP Impurity E HCl (CAS CATO-C4X-246681)
- 4-Amino-3-(benzyloxy)benzonitrile (CAS 205448-68-6)
- (S)-3-((1R,3R,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropan-1-amine (CAS 376348-71-9)
- Benzo[d]isothiazol-6-ylmethanamine (CAS 1510112-67-0)
- 5,7-Dibromobenzo[d]thiazol-4-amine (CAS 771-11-9)
- 3-[(2-chloro-6-fluorobenzyl)thio]-5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazole (CAS 650615-68-2)
- 4-Fluoro-6-hydroxypyrimidine (CAS 500148-40-3)
- DAPK Substrate Peptide (CAS 386769-53-5)
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