4-(5-Fluoro-2,3-dihydrobenzofuran-7-yl)-4-methyl-2-(trifluoromethyl)pentane-1,2-diol CAS 887375-37-3
| CAS No. | 887375-37-3 |
| Molecular Formula | C15H18F4O3 |
| Molecular Weight | 322.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-(5-Fluoro-2,3-dihydrobenzofuran-7-yl)-4-methyl-2-(trifluoromethyl)pentane-1,2-diol 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.
4-(5-Fluoro-2,3-dihydrobenzofuran-7-yl)-4-methyl-2-(trifluoromethyl)pentane-1,2-diol (CAS 887375-37-3), molecular formula C15H18F4O3 and molecular weight 322.30 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system, 4-(5-Fluoro-2,3-dihydrobenzofuran-7-yl)-4-methyl-2-(trifluoromethyl)pentane-1,2-diol is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 322.30 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C15H18F4O3 |
| Molecular Weight | 322.30 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, keep sealed and dry |
| 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
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Recommended Standards
- 4-((3-(Trifluoromethyl)phenyl)sulfonyl)piperazine-1-carbaldehyde (CAS 866152-66-1)
- 4-(Dimethylphosphoryl)-5-methoxy-2-(4-methoxybenzyl)pyridazin-3(2H)-one (CAS 2817674-42-1)
- 3-Phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide (CAS 478260-63-8)
- Ethyl 2-{[6-oxo-1-(prop-2-en-1-yl)-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate (CAS 866143-11-5)
- (4S)-2-(3,5-dimethoxyphenyl)thiazolidine-4-carboxylic acid (CAS 1265908-08-4)
- 4-(Decanoyloxy)benzoic acid (CAS 86960-46-5)
- (S)-2,3-Dimethyl-4-(phenylthio)-2-butanol (CAS 114694-30-3)
- 1-(3-Bromophenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 1105193-10-9)
- 5-Bromo-2-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)pyridine (CAS 945999-98-4)
- Neostigmine impurity 32 (CAS 23040-64-4)
- 3'-Fluoro-2'-methyl-2,2,2-trifluoroacetophenone (CAS 6500-37-4)
- 1-[2'-(Trifluoromethyl)[1,1'-biphenyl]-3-yl] ethanone (CAS 784142-96-7)
- 1-(2-(3,5-Dimethylphenoxy)ethyl)-1H-indole-3-carbaldehyde (CAS 884497-57-8)
- Peptide Impurity 15 (CAS 1227750-69-7)
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