2-(5-Chloro-2-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane CAS 1638847-76-3
| CAS No. | 1638847-76-3 |
| Molecular Formula | C13H17BClFO2 |
| Molecular Weight | 270.54 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-(5-Chloro-2-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1638847-76-3), molecular formula C13H17BClFO2 and molecular weight 270.54 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-(5-Chloro-2-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (C13H17BClFO2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.5, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 270.54 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C13H17BClFO2 |
| Molecular Weight | 270.54 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 4.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1993 |
| Halogen Content | F/Cl-containing |
Related Chloro Standards
- 2-(4-Chloro-2-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1126320-27-1)
- 2-(3-Chloro-4-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1402238-26-9)
- 2-(4-Chloro-2-fluoro-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1454914-16-9)
- 2-(5-Chloro-2-fluoro-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1638847-73-0)
- 2-(2-Chloro-5-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1638847-79-6)
- 2-(4-Chloro-3-fluoro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1680200-54-7)
- 2-Chloro-6-fluoro-3-methylphenylboronic acid pinacol ester (CAS 1688672-06-1)
- 2-(4-Chloro-5-fluoro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1885096-92-3)
Recommended Standards
- 2,2,2-Trichloro-1-(4-(1-hydroxypropyl)-1H-pyrrol-2-yl)ethan-1-one (CAS 1135283-05-4)
- 1,3-Di-tert-butyl-2-(tert-butylamino)-1,3-diaza-2,4-disilacyclotetrane (CAS 302912-46-5)
- Ethyl 2-bromo-5-chloro-1,3-thiazole-4-carboxylate (CAS 425392-44-5)
- 2-(4-Chloro-2-fluoro-6-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 2913572-78-6)
- 5-Bromo-3-methyl-6-oxo-1,6-dihydro-pyridine-2-carboxylic acid methyl ester (CAS 1006365-26-9)
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