3-Chloro-2,2-bis(chloromethyl)propan-1-ol CAS 813-99-0
| CAS No. | 813-99-0 |
| Molecular Formula | C5H9Cl3O |
| Molecular Weight | 191.48 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-Chloro-2,2-bis(chloromethyl)propan-1-ol.
3-Chloro-2,2-bis(chloromethyl)propan-1-ol (CAS 813-99-0) is a high-purity analytical reference standard with the molecular formula C5H9Cl3O and a molecular weight of 191.48 g/mol.
Owing to a hydroxyl group, an ether linkage, chlorine substitution, 3-Chloro-2,2-bis(chloromethyl)propan-1-ol is typically white to off-white crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 191.48 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.
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 | C5H9Cl3O |
| Molecular Weight | 191.48 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 | Stable under recommended storage conditions |
| Degree of Unsaturation (DBE) | 0.0 |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | Cl-containing |
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