Methyl 4-ethynyl-3-fluorobenzoate CAS 1459216-15-9
| CAS No. | 1459216-15-9 |
| Molecular Formula | C10H7FO2 |
| Molecular Weight | 178.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl 4-ethynyl-3-fluorobenzoate is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Methyl 4-ethynyl-3-fluorobenzoate (CAS 1459216-15-9), molecular formula C10H7FO2 and molecular weight 178.16 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C10H7FO2, Methyl 4-ethynyl-3-fluorobenzoate contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 178.16 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures Methyl 4-ethynyl-3-fluorobenzoate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C10H7FO2 |
| Molecular Weight | 178.16 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1992 |
| Halogen Content | F-containing |
Related Methyl Standards
- Methyl 3-ethynyl-4-fluorobenzoate (CAS 1263286-05-0)
- Methyl 2-ethynyl-6-fluorobenzoate (CAS 2551119-21-0)
- Methyl 3-ethynyl-5-fluorobenzoate (CAS 914944-24-4)
- Methyl 4-ethynyl-2-fluorobenzoate (CAS 692277-73-9)
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- Boc-Glycine-<SUP>13</SUP>C<SUB>2</SUB>,<SUP>15</SUP>N (CAS 145142-99-0)
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- 5-(Difluoromethyl)-6-(trifluoromethyl)pyridine-2,4-diamine (CAS 1803670-51-0)
- Alanine, n-[(9h-fluoren-9-ylmethoxy)carbonyl]-3-iodo-, 1,1-dimethylethyl ester (CAS 1822420-38-1)
- 8-Fluoroisoquinolin-3(2H)-one (CAS 51463-16-2)
- Methyl 4,5-dichlorofuran-2-carboxylate (CAS 1403567-85-0)
- N-(4-acetamidophenyl)-3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamide (CAS 294876-16-7)
- Methyl 5-aminooctahydropentalene-2-carboxylate (CAS 1780573-92-3)
- (trans-2-(bromomethyl)cyclopropyl)benzene (CAS 135911-95-4)
- Tirzepatide Impurity 13 (CAS CATO-C4X-324013)
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