Sitagliptin Impurity 111 CAS 1335952-08-3
| CAS No. | 1335952-08-3 |
| Molecular Formula | C9H10F3N |
| Molecular Weight | 189.18 g/mol |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
Chemical Structure
Description
As a process- or degradation-related impurity, Sitagliptin Impurity 111 (CAS 1335952-08-3, C9H10F3N) is essential for impurity profiling, related-substances testing, and forced-degradation studies in pharmaceutical development.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution, Sitagliptin Impurity 111 is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 189.18 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C9H10F3N |
| Molecular Weight | 189.18 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-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 methanol, acetonitrile, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Sitagliptin Standards
- Sitagliptin Impurity 122 (CAS CATO-C4X-1144122)
- Sitagliptin Impurity N31 (CAS 910409-20-0)
- Sitagliptin Impurity 63 (CAS 1864680-46-5)
- Sitagliptin Impurity 76 (CAS 209995-38-0)
- Sitagliptin Impurity 60 (CAS 1305324-02-0)
- Sitagliptin Impurity 80 (CAS 220199-85-9)
- Sitagliptin Impurity 62 (CAS 723286-98-4)
- Sitagliptin Impurity 107 (CAS 89124-06-1)
Recommended Standards
- N-Methyl-1-(4-(trifluoromethyl)phenyl)methanamine (CAS 90390-11-7)
- n-Methyl-1-(2-(trifluoromethyl)phenyl)methanamine (CAS 296276-41-0)
- N-Ethyl-4-(trifluoromethyl)aniline (CAS 820209-45-8)
- 5,6-Diaminopyridine-3-sulfonic acid (CAS 100517-08-6)
- Linezolid Descarbonyl N-Desacetyl N-Acetyl Impurity (Oxalate Salt) (CAS CATO-C4X-1073116)
- Levothyroxine Impurity 14 (CAS 3914-31-6)
- Axitinib Impurity N26 (CAS 150187-67-0)
- 1-nitrodibenzothiophen-4-ol (CAS 881375-77-5)
- 1-((2-Chlorophenyl)sulfonyl)-4',5'-dimethylspiro[indoline-3,2'-[1,3]dioxolan]-2-one (CAS 294853-28-4)
- (6-Methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 3-chlorobenzoate (CAS 877642-80-3)
- 1,4-Bis(methoxy)-2,5-bis(4,2':6',4"-terpyridin-4'-yl)benzene (CAS 1698911-97-5)
- Trichloro((dichloro(decyl)silyl)methyl)silane (CAS 1621184-14-2)
- (4-Biphenylylmethyl)hydrazine Hydrochloride (CAS 75333-07-2)
- Semaglutide Impurity 6 (CAS 62-57-7)
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