tert-butyl 4-(trifluoromethyl)benzoate CAS 196934-20-0
| CAS No. | 196934-20-0 |
| Molecular Formula | C12H13F3O2 |
| Molecular Weight | 246.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of tert-butyl 4-(trifluoromethyl)benzoate (C12H13F3O2) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring 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.
tert-butyl 4-(trifluoromethyl)benzoate (CAS 196934-20-0), molecular formula C12H13F3O2 and molecular weight 246.23 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures tert-butyl 4-(trifluoromethyl)benzoate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C12H13F3O2 |
| Molecular Weight | 246.23 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2013 |
| Halogen Content | F-containing |
Recommended Standards
- 2-(Piperidin-4-yloxy)-5-(trifluoromethyl)pyridine (CAS 194668-48-9)
- (1S,3s)-3-(benzyloxy)-1-(trifluoromethyl)cyclobutan-1-ol (CAS 2477877-26-0)
- Ethyl 3-(2-(trifluoromethyl)phenyl)propanoate (CAS 191155-80-3)
- (5AR,9aS)-1-(trifluoromethyl)-4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a][1,6]naphthyridine (CAS 2227198-58-3)
- 3-Methylbenzylisocyanide (CAS 602261-96-1)
- 3-{2-[(3,5-Dimethoxybenzyl)oxy]ethyl}piperidinehydrochloride (CAS 1220038-96-9)
- 2-((4-Methoxybenzyl)carbamoyl)benzoic acid (CAS 560096-10-8)
- 4,7-dichloro-8-fluoro-2-methyl-pyrido[4,3-d]pyrimidine (CAS 2454397-79-4)
- 1,2-Dimethyl-1H-imidazo[4,5-c]pyridine (CAS 45880-13-5)
- Bisphenol P (CAS 2167-51-3)
- 3-CPMT Hydrochloride (CAS 14008-79-8)
- 2-Methoxy-4-(morpholin-4-yl)benzonitrile (CAS 1783371-72-1)
- 3-(S-Methylsulfonimidoyl)benzenamine (CAS 851008-24-7)
- Semaglutide impurity 31 (CAS CATO-C4X-222631)
Why CATO?
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