Crisaborole impurity 116 CAS CATO-C4X-2021116
| CAS No. | CATO-C4X-2021116 |
| Molecular Formula | C14H8Br3NO |
| Molecular Weight | 445.93 g/mol |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
Chemical Structure
Description
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.
As a process- or degradation-related impurity, Crisaborole impurity 116 (CAS CATO-C4X-2021116, C14H8Br3NO) is essential for impurity profiling, related-substances testing, and forced-degradation studies in pharmaceutical development.
Based on its molecular formula C14H8Br3NO, Crisaborole impurity 116 contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 445.93 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.
This reference standard supports related-substances testing and method development in line with ICH Q3A/Q3B guidance on impurity control, and is suitable for system suitability testing and forced-degradation studies.
Physical & Chemical Properties
| Molecular Formula | C14H8Br3NO |
| Molecular Weight | 445.93 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Related Crisaborole Standards
- Crisaborole lmpurity 98 (CAS CATO-C4X-202198)
- Crisaborole impurity 126 (CAS CATO-C4X-2021126)
- Crisaborole Impurity 38 (CAS 2254541-79-0)
- Crisaborole lmpurity 81 (CAS CATO-C4X-202181)
- Crisaborole Impurity 50 (CAS CATO-C4X-202150)
- Crisaborole impurity 123 (CAS CATO-C4X-2021123)
- Crisaborole Impurity 146 (CAS CATO-C4X-2021146)
- Crisaborole Impurity 21 (CAS CATO-C4X-202121)
Recommended Standards
- (E)-[1-(4-Chlorophenyl)-3-(4-methylbenzenesulfonyl)propylidene][(3-fluorophenyl)methoxy]amine (CAS 477867-78-0)
- 2-(3-Bromophenyl)-5-(dibromomethyl)benzo[d]oxazole (CAS 1706430-05-8)
- 8-(tert-Butyldimethylsilyloxy) 8-Hydroxy Efavirenz, Technical Grade (CAS 1027042-31-4)
- Ticagrelor Impurity 75 (Mixture of Diastereomers) (CAS 1863036-45-6)
- Lenvatinib Impurity 98 (CAS CATO-C4X-114098)
- Atropine Impurity 58 (CAS 1047974-95-7)
- Flurbiprofen Impurity 8 (CAS 542-10-9)
- (Z)-Pelubiprofen (CAS CATO-C4X-21272)
- Dibenzo[a,j]tetracene (CAS 227-04-3)
- 1-(Cyclopropylmethyl)indolin-5-amine (CAS 1457698-52-0)
- 4-(1-chloroethyl)-1,2-difluorobenzene (CAS 221031-54-5)
- 2,5-Dibromo-3-fluoropyridine (CAS 156772-60-0)
- Hydrocortisone EP Impurity D (CAS 53-35-0)
- Serpent Peptide 2AcOH (CAS 823202-99-9(free base))
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