3-Chloro-6-(3-(trifluoromethyl)-3H-diazirin-3-yl)isoquinoline CAS 2231675-97-9
| CAS No. | 2231675-97-9 |
| Molecular Formula | C11H5ClF3N3 |
| Molecular Weight | 271.63 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 3-Chloro-6-(3-(trifluoromethyl)-3H-diazirin-3-yl)isoquinoline (CAS 2231675-97-9), a certified reference material (molecular formula C11H5ClF3N3, MW 271.63 g/mol) for analytical method development and quality control.
Structurally, 3-Chloro-6-(3-(trifluoromethyl)-3H-diazirin-3-yl)isoquinoline (C11H5ClF3N3) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 271.63 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C11H5ClF3N3 |
| Molecular Weight | 271.63 g/mol |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1998 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
- Deethylphosphamidon (CAS 13171-22-7)
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- (E)-4-amino-N-(3-Chloro-4-fluorophenyl)-N’-hydroxy-1,2,5-oxadiazole-3-carboximidamide (CAS 914471-09-3)
- 2-(3-fluorophenyl)-2-hydroxypropanoic acid (CAS 1083317-38-7)
- Angophorol (CAS 133442-54-3)
- 4-Fluoro-N-(4-(piperidin-1-yl)phenyl)benzamide (CAS 251096-77-2)
- 1-Methoxyisoquinoline-4-carbonitrile (CAS 87954-16-3)
- 2-(2-Bromoethyl)-6-methylpyridine hydrobromide (CAS 1171575-53-3)
- (Methylmercapto)trimethylsilane (Methylsulphanyl)trimethylsilane 3908-55-2 Methyl trimethylsilyl sulphide trimethyl(methylsulfanyl)silane (CAS 3908-55-2)
- 3-[Methyl(methylsulfonyl)amino]benzoic acid (CAS 89469-46-5)
- Acetyl-L-threonine (CAS 17093-74-2)
- 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-phenyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole (CAS 383145-80-0)
- Pancreatic Polypeptide (31-36) Free Acid, human (CAS 192432-73-8)
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