3-(Benzyloxy)-5-(trifluoromethyl)benzoic acid CAS 53985-39-0
| CAS No. | 53985-39-0 |
| Molecular Formula | C15H11F3O3 |
| Molecular Weight | 296.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-(Benzyloxy)-5-(trifluoromethyl)benzoic acid.
3-(Benzyloxy)-5-(trifluoromethyl)benzoic acid (CAS 53985-39-0), molecular formula C15H11F3O3 and molecular weight 296.24 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C15H11F3O3, 3-(Benzyloxy)-5-(trifluoromethyl)benzoic acid contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, a polycyclic aromatic system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 296.24 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C15H11F3O3 |
| Molecular Weight | 296.24 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, 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1972 |
| Halogen Content | F-containing |
Related Benzyloxy Standards
- 4-Benzyloxy-2-(trifluoromethoxy)benzaldehyde (CAS 1809158-19-7)
- 2-(Benzyloxy)-4-(trifluoromethyl)benzoic acid (CAS 1822843-97-9)
- 2-(Benzyloxy)-5-(trifluoromethyl)benzoic acid (CAS 53985-54-9)
- 3-(Benzyloxy)-4-(trifluoromethyl)benzoic acid (CAS 946007-74-5)
- 4-(Benzyloxy)-3-(trifluoromethyl)benzoic acid (CAS 536975-35-6)
- 4-Benzyloxy-2-(trifluoromethyl)benzoic acid (CAS 790695-23-7)
- 2-(4-(Benzyloxy)-2,2,3,3-tetrafluorobutoxy)ethanol (CAS 663176-03-2)
- (S)-2-(2-(((Benzyloxy)carbonyl)amino)-3-hydroxypropanamido)acetic acid (CAS 30735-20-7)
Recommended Standards
- 2-Oxo-1-{[4-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carboxamide (CAS 338977-48-3)
- 4-{2-[(tert-Butyldimethylsilyl)oxy]ethoxy}phenylboronic acid (CAS 225385-14-8)
- 2-Methyl-N'-[(1E)-[3-(trifluoromethyl)phenyl]methylidene]furan-3-carbohydrazide (CAS 329699-42-5)
- 2-Hydroxy-4-{[3-(trifluoromethyl)benzyl]oxy}benzenecarbaldehyde (CAS 860611-51-4)
- 3-(4-Ethylbenzoyl)-6-methoxyquinolin-4(1H)-one (CAS 892290-87-8)
- 4-Chloro-2-methyl-2H-pyrazolo[3,4-d]pyrimidine (CAS 959430-67-2)
- 4-Allyl-2-methoxy-1-(pentyloxy)benzene (CAS 94291-83-5)
- (3-Chloro-5-fluorophenyl)(4-chlorophenyl)methanol (CAS 844683-35-8)
- 4-(Ethylthio)-6-methyl-1,3,5-triazin-2-amine (CAS 57639-45-9)
- Venetoclax Impurity 136 (CAS CATO-C4X-2495136)
- 2-(Quinolin-7-yl)ethanol (CAS 1260762-36-4)
- 1170464-18-2 N-(1H-Indol-3-ylmethyl)butan-2-amine MFCD14282040 (CAS 1170464-18-2)
- Digitoxigenin (CAS 143-62-4)
- (Tyr?)-C-Type Natriuretic Peptide (32-53) (human, porcine, rat) (CAS 142878-79-3)
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