Methyl 3-[3,5-bis(trifluoromethyl)phenyl]benzoate CAS 177734-87-1
| CAS No. | 177734-87-1 |
| Molecular Formula | C16H10F6O2 |
| Molecular Weight | 348.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl 3-[3,5-bis(trifluoromethyl)phenyl]benzoate is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, a polycyclic aromatic system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Methyl 3-[3,5-bis(trifluoromethyl)phenyl]benzoate (CAS 177734-87-1) is a high-purity analytical reference standard with the molecular formula C16H10F6O2 and a molecular weight of 348.24 g/mol.
The molecular framework of Methyl 3-[3,5-bis(trifluoromethyl)phenyl]benzoate (C16H10F6O2) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, a polycyclic aromatic system. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), Methyl 3-[3,5-bis(trifluoromethyl)phenyl]benzoate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C16H10F6O2 |
| Molecular Weight | 348.24 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 |
| 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.) | 2007 |
| Halogen Content | F-containing |
Recommended Standards
- 2,4-Dinitrophenyl 2-Deoxy-2-fluoro-b-D-galactoside (CAS 143716-62-5)
- 9-(4-(Bromomethyl)phenyl)acridine (CAS 183170-02-7)
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- 1,3-Bis(4-(trifluoromethyl)phenyl)urea (CAS 1960-88-9)
- 2-(2,5-Dichlorophenyl)benzo[d]oxazole-5-carboxylic acid (CAS 1232675-55-6)
- Lauryl oleate (CAS 36078-10-1)
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- 6-Ethoxynaphthalen-2-ol (CAS 150788-85-5)
- 1-((4-Ethylbenzyl)oxy)-1H-imidazole (CAS 478032-40-5)
- Methyl 4-amino-2-(2-ethoxy-2-oxoethoxy)benzoate (CAS 1979546-50-3)
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- 4-(Benzyloxy)-3-methoxyaniline (CAS 15382-71-5)
- Semaglutide Impurity 140 (CAS CATO-C4X-2226140)
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