Allyl chlorodifluoroacetate CAS 118337-48-7
| CAS No. | 118337-48-7 |
| Molecular Formula | C5H5ClF2O2 |
| Molecular Weight | 170.54 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Allyl chlorodifluoroacetate is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Allyl chlorodifluoroacetate (CAS 118337-48-7) is a high-purity analytical reference standard with the molecular formula C5H5ClF2O2 and a molecular weight of 170.54 g/mol.
The molecular framework of Allyl chlorodifluoroacetate (C5H5ClF2O2) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 | C5H5ClF2O2 |
| Molecular Weight | 170.54 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.) | 1990 |
| Halogen Content | F/Cl-containing |
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Recommended Standards
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- 5-Chloro-2-(trifluoromethyl)-1H-imidazole (CAS 219534-94-8)
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- 5-(Trifluoroacetyl)thiophene-2-carboxylic Acid (CAS 929028-43-3)
- 4-[(4-Carboxyphenyl)sulfanyl]benzoic acid (CAS 4919-48-6)
- 4,4',4''-(benzene-1,3,5-triyltris(oxy))triphthalonitrile (CAS 444717-57-1)
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