2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy)benzoate-d3 CAS 1246814-69-6
| CAS No. | 1246814-69-6 |
| Molecular Formula | - |
| Molecular Weight | 403.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy)benzoate-d3 (C13H6D3F9O4) is characterized by deuterium isotope labeling, 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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
CATO supplies 2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy)benzoate-d3 (CAS 1246814-69-6), a certified reference material (molecular formula C13H6D3F9O4, MW 403.21 g/mol) for analytical method development and quality control.
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 | C13H6D3F9O4 |
| Molecular Weight | 403.21 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
Related Trifluoroethyl Standards
- 2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy) Benzoate (CAS 50778-57-9)
- Methyl 3-(4-((2,2,2-trifluoroethyl)sulfonamido)phenoxy)thiophene-2-carboxylate (CAS 882747-59-3)
- 2,2,2-Trifluoroethyl N-{1-[(3,4-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}carbamate (CAS 338783-83-8)
- 2,2,2-trifluoroethyl 4-amino-3,5-dibromobenzene-1-sulphonate (CAS 200876-80-8)
- 2,2,2-Trifluoroethyl (4-((4-chlorophenyl)carbamoyl)benzyl)carbamate (CAS 860649-84-9)
- 2,2,2-Trifluoroethyl (4-((2,4-dichlorophenyl)carbamoyl)benzyl)carbamate (CAS 860649-85-0)
- 2,2,2-Trifluoroethyl 6-(4-(2-fluorophenyl)piperazin-1-yl)nicotinate (CAS 400086-62-6)
- 2,2,2-Trifluoroethyl N-({4-[(4-methoxyphenyl)carbamoyl]phenyl}methyl)carbamate (CAS 477857-90-2)
Recommended Standards
- 2-(2,7-Dichloro-3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid (CAS 106070-31-9)
- 1-tert-Butyl 2-methyl 6-iodoindoline-1,2-dicarboxylate (CAS 1255098-64-6)
- 3-Hydroxy-2-(1-((4-iodophenyl)imino)propyl)-1H-inden-1-one (CAS 1024411-35-5)
- 2-(1-Methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CAS 957002-81-2)
- (R)-2-Amino-2-cyclobutylacetic acid (CAS 49607-10-5)
- 2-(4-Chloro-2-methylphenoxy)-N'-[(3E)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetohydrazide (CAS 330567-03-8)
- 1-Hydroxy-5,5-dimethyl-2-phenylimidazolidine-4-thione (CAS 257869-91-3)
- 2-(6-Chloro-4-(difluoromethyl)-5-methoxypyridin-2-yl)acetic acid (CAS 1806867-74-2)
- N-(1-Methyl-4-oxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)acetamide (CAS 78082-43-6)
- n-Pentyltri-n-butyltin (CAS 78693-51-3)
- 2'-Ethyl-2-(methoxymethyl)-[1,1'-biphenyl]-4-carboxylic acid (CAS 1141473-97-3)
- n-(2-Fluorophenyl)tetrahydro-2h-thiopyran-4-amine (CAS 1156987-19-7)
- 2-chloro-1-[(1s,4s)-4-(trifluoromethyl)cyclohexyl]ethan-1-one (CAS 2059913-70-9)
- Hexapeptide-11 (CAS 100684-36-4)
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