Methyl 4,4-difluoro-2-hexynoate CAS 112780-02-6
| CAS No. | 112780-02-6 |
| Molecular Formula | C7H8F2O2 |
| Molecular Weight | 162.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), Methyl 4,4-difluoro-2-hexynoate 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.
Methyl 4,4-difluoro-2-hexynoate (CAS 112780-02-6), molecular formula C7H8F2O2 and molecular weight 162.13 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Methyl 4,4-difluoro-2-hexynoate (C7H8F2O2) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine 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. 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).
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 | C7H8F2O2 |
| Molecular Weight | 162.13 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 | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F-containing |
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Recommended Standards
- 6,6-difluorobicyclo[3.1.0]hexane-3-carboxylic acid (CAS 1093751-02-0)
- (2-Cyanoethoxy)(dimethylamino)phosphinous acid (CAS 1253527-94-4)
- Trimethylolpropane Phosphite (CAS 824-11-3)
- ((Trifluoromethyl)sulfonyl)ethane (CAS 13003-57-1)
- 1-Bromo-3-(2-bromo-1-(2-methoxyethoxy)ethyl)benzene (CAS 1250313-58-6)
- 17B(H)-22,29,30-Trisnorhopane (CAS 51271-94-4)
- 6-Chloro-3-(piperidin-4-yl)-1h-indole (CAS 180160-78-5)
- 2-(2,2-Diethoxyethoxy)toluene (CAS 117516-63-9)
- L-Serine 7-amido-4-methyl coumarin hydrochloride (CAS 115918-60-0)
- 1-(3,4-Dichlorobenzyl)-2-oxo-N-phenyl-1,2-dihydropyridine-3-carboxamide (CAS 338754-33-9)
- ((allyloxy)carbonyl)-L-serine (CAS 90508-22-8)
- (cis-1,4-Dibenzoyl)cyclohexane (CAS 1217823-23-8)
- 6,7-Dimethoxy-4-phenyl-2-naphthoic acid (CAS 109614-39-3)
- Peptide Impurity 05 (CAS 2322924-83-2)
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