2-(4-(Benzyloxy)-3-(trifluoromethyl)phenyl)-4,4,6-trimethyl-1,3,2-dioxaborinane CAS 2096995-52-5
| CAS No. | 2096995-52-5 |
| Molecular Formula | C20H22BF3O3 |
| Molecular Weight | 378.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-(4-(Benzyloxy)-3-(trifluoromethyl)phenyl)-4,4,6-trimethyl-1,3,2-dioxaborinane (CAS 2096995-52-5) is a high-purity analytical reference standard with the molecular formula C20H22BF3O3 and a molecular weight of 378.19 g/mol.
Structurally, 2-(4-(Benzyloxy)-3-(trifluoromethyl)phenyl)-4,4,6-trimethyl-1,3,2-dioxaborinane (C20H22BF3O3) contains a steroid core, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.5, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 378.19 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
CATO manufactures 2-(4-(Benzyloxy)-3-(trifluoromethyl)phenyl)-4,4,6-trimethyl-1,3,2-dioxaborinane 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 | C20H22BF3O3 |
| Molecular Weight | 378.19 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 |
| 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) | 8.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | F-containing |
Related Benzyloxy Standards
- 2-(4-(Benzyloxy)-2-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1218790-07-8)
- 2-(4-(Benzyloxy)-3-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1257078-54-8)
- 2-(2-(Benzyloxy)-5-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 779331-12-3)
- (R)-2-(((Benzyloxy)carbonyl)amino)-3-(2-bromophenyl)propanoic acid (CAS 123098-44-2)
- 2-(((Benzyloxy)carbonyl)amino)-3-(3-bromophenyl)propanoic acid (CAS 331955-30-7)
- 2-(((Benzyloxy)carbonyl)amino)-3-(4-bromophenyl)propanoic acid (CAS 82611-57-2)
- 3-(((Benzyloxy)carbonyl)amino)-3-(3-bromophenyl)propanoic acid (CAS 778598-15-5)
- 3-(((Benzyloxy)carbonyl)amino)-3-(4-bromophenyl)propanoic acid (CAS 477849-01-7)
Recommended Standards
- 4-Iodo-N,N-dimethyl-3-(pyridin-2-yl)-1H-pyrazole-1-sulfonamide (CAS 746668-78-0)
- 1-((4-Iodo-3-methoxyphenyl)sulfonyl)-4-methyl-1H-imidazole (CAS 898641-07-1)
- Methyl 5-(4-bromophenylamino)-4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxylate (CAS 1000340-06-6)
- (2-(Bis(tert-butoxycarbonyl)amino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl)boronic acid (CAS 2242682-96-6)
- 1,2,4-Trimethoxy-3-nitrobenzene (CAS 102871-28-3)
- (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)dihydrofuran-2(3H)-one (CAS 3327-63-7)
- (3-Bromo-2-fluorophenyl)methanamine hydrochloride (CAS 1177559-63-5)
- 4-fluorobenzoic acid [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] ester 42059-81-4 A825743 [2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 4-fluoranylbenzoate (CAS 42059-81-4)
- ((2-Bromothiazol-4-yl)imino)dimethyl-l6-sulfanone (CAS 2920965-37-1)
- 2-Iodo-5-methoxybenzaldehyde (CAS 77287-58-2)
- 4-Iodo-1-(3-isopropoxybenzyl)-1H-pyrazole (CAS 2206821-30-7)
- tert-Butyl 3-(thiazol-2-ylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate (CAS 1515578-92-3)
- 9-Ethyl-2-(trifluoromethyl)-9H-purin-6-amine (CAS 1736-95-4)
- Biotinyl-Neuropeptide Y (human, rat) trifluoroacetate salt (CAS 213779-13-6)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com