3-(4-(tert-Butyl)phenyl)-3-chloroacrylaldehyde CAS 91405-41-3
| CAS No. | 91405-41-3 |
| Molecular Formula | C13H15ClO |
| Molecular Weight | 222.71 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 222.71 g/mol gives 3-(4-(tert-Butyl)phenyl)-3-chloroacrylaldehyde distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-(4-(tert-Butyl)phenyl)-3-chloroacrylaldehyde (CAS 91405-41-3), molecular formula C13H15ClO and molecular weight 222.71 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-(4-(tert-Butyl)phenyl)-3-chloroacrylaldehyde (C13H15ClO) contains a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 222.71 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 3-(4-(tert-Butyl)phenyl)-3-chloroacrylaldehyde meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C13H15ClO |
| Molecular Weight | 222.71 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, DMSO |
| 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.) | 1983 |
| Halogen Content | Cl-containing |
Recommended Standards
- 2-Cyclopentyl-2-phenylacetyl chloride (CAS 7037-44-7)
- 3-(Methylsulfanyl)benzene-1-sulfonyl chloride (CAS 60036-46-6)
- 2-(methylsulfanyl)benzene-1-sulfonyl chloride (CAS 60036-45-5)
- 3-Chloro-4-cyclohexylbenzaldehyde (CAS 40891-68-7)
- 2-(4-(4-(4-Chloro-1H-pyrazol-1-yl)butyl)piperazin-1-yl)pyrimidin-5-ol (CAS 159493-79-5)
- 3-Chloro-1-(4-octylphenyl)propan-1-one (CAS 928165-59-7)
- (E)-3-(((4-chlorobenzyl)oxy)imino)propanenitrile (CAS 339096-99-0)
- Avatrombopag Impurity 121 (CAS CATO-C4X-2234121)
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