4-(4-Chlorobenzyl)isoquinoline CAS 104755-77-3
| CAS No. | 104755-77-3 |
| Molecular Formula | C16H12ClN |
| Molecular Weight | 253.73 g/mol |
| 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.
4-(4-Chlorobenzyl)isoquinoline (CAS 104755-77-3), molecular formula C16H12ClN and molecular weight 253.73 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C16H12ClN, 4-(4-Chlorobenzyl)isoquinoline contains a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 253.73 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C16H12ClN |
| Molecular Weight | 253.73 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- Diethyl Azoxybenzene-4,4-dicarboxylate (CAS 34241-38-8)
- 5-(2-(Cyclopropylmethyl)pyrimidin-4-yl)-4-methylthiazol-2-amine (CAS 1163707-18-3)
- 3-Pyrrolidinylmethyl tetrahydro-2H-pyran-4-carboxylate hydrochloride (CAS 1220020-90-5)
- 3-Amino-3-cyclohexylbutanoic acid (CAS 1270444-33-1)
- (R)-Phaselic Acid (CAS 149197-97-7)
- 4-Bromo-N,3-dimethyl-N-propylbenzamide (CAS 1775007-74-3)
- Posaconazole (CAS 171228-49-2)
- Acetyl tetrapeptide-3 (CAS 827306-88-7)
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