Ethyl 3-chloro-2,2-dimethylbut-3-enoate CAS 97987-62-7
| CAS No. | 97987-62-7 |
| Molecular Formula | C8H13ClO2 |
| Molecular Weight | 176.64 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.
Ethyl 3-chloro-2,2-dimethylbut-3-enoate (CAS 97987-62-7) is a high-purity analytical reference standard with the molecular formula C8H13ClO2 and a molecular weight of 176.64 g/mol.
Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, Ethyl 3-chloro-2,2-dimethylbut-3-enoate is typically white to off-white crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 176.64 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C8H13ClO2 |
| Molecular Weight | 176.64 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | Cl-containing |
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