4,4,4-Trichloro-3-hydroxybutanoic acid CAS 13159-46-1
| CAS No. | 13159-46-1 |
| Molecular Formula | C4H5Cl3O3 |
| Molecular Weight | 207.44 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4,4,4-Trichloro-3-hydroxybutanoic acid is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 4,4,4-Trichloro-3-hydroxybutanoic acid (CAS 13159-46-1), a certified reference material (molecular formula C4H5Cl3O3, MW 207.44 g/mol) for analytical method development and quality control.
Based on its molecular formula C4H5Cl3O3, 4,4,4-Trichloro-3-hydroxybutanoic acid contains a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic functional-group stretching vibrations in infrared spectroscopy. The molecular weight of 207.44 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C4H5Cl3O3 |
| Molecular Weight | 207.44 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 1.0 |
| CAS Registry Year (est.) | 1960 |
| Halogen Content | Cl-containing |
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Recommended Standards
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- Isradipine Impurity 1 (CAS 116169-18-7)
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- H-Ala-Tyr-OH (CAS 3061-88-9)
- 3-(2-Oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzoic acid (CAS 1244030-93-0)
- Ticagrelor Impurity 90 (CAS 2417326-48-6)
- N-(2-Cyclopropoxy-6-fluorophenyl)methanesulfonamide (CAS 1243345-43-8)
- 2-(3,3-Diethoxyprop-1-yn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 159087-48-6)
- 2-Methyl-5-(pyrrolidin-1-yl)aniline (CAS 69131-64-2)
- Semaglutide impurity 50 (CAS 2773558-66-8)
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