3-(tert-Butyl)-4-chlorobenzonitrile CAS 1369926-76-0
| CAS No. | 1369926-76-0 |
| Molecular Formula | C11H12ClN |
| Molecular Weight | 193.67 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 193.67 g/mol gives 3-(tert-Butyl)-4-chlorobenzonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-(tert-Butyl)-4-chlorobenzonitrile (CAS 1369926-76-0), molecular formula C11H12ClN and molecular weight 193.67 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-(tert-Butyl)-4-chlorobenzonitrile (C11H12ClN) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
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 | C11H12ClN |
| Molecular Weight | 193.67 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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