Allyl 3-chloro-4-((2-chloro-4-fluorobenzyl)oxy)benzoate CAS 1706453-56-6
| CAS No. | 1706453-56-6 |
| Molecular Formula | C17H13Cl2FO3 |
| Molecular Weight | 355.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 355.19 g/mol gives Allyl 3-chloro-4-((2-chloro-4-fluorobenzyl)oxy)benzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Allyl 3-chloro-4-((2-chloro-4-fluorobenzyl)oxy)benzoate (CAS 1706453-56-6), molecular formula C17H13Cl2FO3 and molecular weight 355.19 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C17H13Cl2FO3, Allyl 3-chloro-4-((2-chloro-4-fluorobenzyl)oxy)benzoate contains a steroid core, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 355.19 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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).
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 | C17H13Cl2FO3 |
| Molecular Weight | 355.19 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1994 |
| Halogen Content | F/Cl-containing |
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Recommended Standards
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- 1-((1H-Imidazol-1-yl)methyl)-4-bromo-9H-xanthen-9-one (CAS 331684-13-0)
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- (3-Bromo-1-propynyl)benzene solution (CAS 1794-48-5)
- 1-(3-Chloro-4-fluorobenzyl)piperidin-4-amine dihydrochloride (CAS 1286266-07-6)
- N-(5-Oxo-5,6,7,8-tetrahydronaphthalen-2-yl)methanesulfonamide (CAS 66361-80-6)
- 1-Allyl-4-(tert-butyl)cyclohexane-1-carboxylic acid (CAS 344558-74-3)
- Hexahydrocyclopenta[c]pyrrol-4(1H)-one hydrochloride (CAS 127430-46-0)
- 1-[3-bromo-4-(2-methoxyethoxy)phenyl]hexahydropyrimidine-2,4-dione (CAS 2703772-73-8)
- N-Z-D-Leucinol (CAS 166735-51-9)
- 2-(5-(2,4-Difluorophenyl)furan-2-yl)cyclopropan-1-amine (CAS 1315347-98-8)
- Semaglutide Impurity 21(HO-Ste-L-γGlu-AEEA-AEEA-OH) (CAS 1335440-44-2)
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