14-Allyl-7-phenyl-5,6,8,9-tetrahydrodibenzo[c,h]acridin-14-ium trifluoromethanesulfonate CAS 76017-68-0
| CAS No. | 76017-68-0 |
| Molecular Formula | C30H26N |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| 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.
14-Allyl-7-phenyl-5,6,8,9-tetrahydrodibenzo[c,h]acridin-14-ium trifluoromethanesulfonate (CAS 76017-68-0), molecular formula C30H26NCF3O3S and molecular weight 549.61 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 14-Allyl-7-phenyl-5,6,8,9-tetrahydrodibenzo[c,h]acridin-14-ium trifluoromethanesulfonate (C30H26NCF3O3S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 18.0, corresponding to approximately 18 ring(s) or double-bond equivalent(s). With a molecular weight of 549.61 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
Physical & Chemical Properties
| Molecular Formula | C30H26N CF3O3S |
| Molecular Weight | 549.61 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 18.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1978 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Allyl Standards
- 3-Allyl-1H-indole-5-carbonitrile (CAS 1000780-79-9)
- 1-Allyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS 1000801-78-4)
- 5-Allyl-6-chloro-N-(2-fluoro-4-(methylsulfonyl)phenyl)pyrimidin-4-amine (CAS 1001397-14-3)
- 1-Allyl-2-propoxybenzene (CAS 100256-20-0)
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- N-Allyl-N-(cyclohex-1-en-1-yl)aniline (CAS 100747-80-6)
Recommended Standards
- Methyl 2-{4-[3-(methylcarbamoyl)phenyl]phenyl}acetate (CAS 1820718-00-0)
- 1-(4-Chloro-2-fluorophenyl)-1H-pyrazole (CAS 1444302-83-3)
- Sisunatovir, >98% (HPLC) (CAS 1903763-82-5)
- 3-((4-Ethylcyclohexyl)amino)propan-1-ol (CAS 1042551-60-9)
- 4,7-Methanopyrazolo[1,5-a]pyridine (CAS 109640-49-5)
- Hexahydrocyclopenta[c]pyrrole-3a(1h)-carboxylic acid (CAS 885956-39-8)
- 2,6-Dichloro-3-phenylpropiophenone (CAS 898788-99-3)
- 1,2:4,5-Biscyclohexylidene DL-myo-Inositol (CAS 104873-71-4)
- (3-Chloro-4-fluorophenyl)(cyclopropyl)methanol (CAS 1339855-16-1)
- Semaglutide impurity 69 (CAS CATO-C4X-222669)
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