4,4,5,5-Tetramethyl-2-(3-((trifluoromethyl)sulfonyl)phenyl)-1,3,2-dioxaborolane CAS 1356944-00-7
| CAS No. | 1356944-00-7 |
| Molecular Formula | C13H16BF3O4S |
| Molecular Weight | 336.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4,4,5,5-Tetramethyl-2-(3-((trifluoromethyl)sulfonyl)phenyl)-1,3,2-dioxaborolane is closely related to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4,4,5,5-Tetramethyl-2-(3-((trifluoromethyl)sulfonyl)phenyl)-1,3,2-dioxaborolane (CAS 1356944-00-7), molecular formula C13H16BF3O4S and molecular weight 336.13 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4,4,5,5-Tetramethyl-2-(3-((trifluoromethyl)sulfonyl)phenyl)-1,3,2-dioxaborolane (C13H16BF3O4S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.5, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 336.13 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C13H16BF3O4S |
| Molecular Weight | 336.13 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 4.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
Related Tetramethyl Standards
- 4,4,5,5-Tetramethyl-2-(4-((trifluoromethyl)sulfonyl)phenyl)-1,3,2-dioxaborolane (CAS 648904-89-6)
- 1,4-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene (CAS 99770-93-1)
- 2-(((4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)oxy)methyl)benzonitrile (CAS 1346708-12-0)
- 3-(((4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)oxy)methyl)benzonitrile (CAS 1346708-13-1)
- 4-(((4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)oxy)methyl)benzonitrile (CAS 1346708-14-2)
- 2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzo[d]oxazol-4-amine (CAS 942589-84-6)
- 2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzo[d]oxazol-6-amine (CAS 942589-97-1)
- N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzo[d]oxazol-2-amine (CAS 330793-73-2)
Recommended Standards
- 865-35-0 Tantalum(5+) pentamethoxide DTXSID50509856 (CAS 865-35-0)
- 2-(3-Iodophenyl)-2H-benzo[d][1,2,3]triazol-5-amine (CAS 1706444-45-2)
- Ethyl 2-iodo-3,4-dimethoxybenzoate (CAS 210538-61-7)
- 5-(4-Chloro-3-nitrophenyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole (CAS 1779134-05-2)
- 3-Fluorophenethylzinc bromide (CAS 1142275-36-2)
- 4-(2-Bromoacetyl)benzenesulfonylchloride (CAS 5038-59-5)
- N-Methyl-N-{[(2S)-oxiran-2-yl]methyl}methanesulfonamide (CAS 866777-98-2)
- 2-Chloro-4-(2,2,2-trifluoroethoxy)aniline (CAS 1247893-83-9)
- 1-(3,5-Dimethyl-4-((phenylsulfonyl)methyl)-1H-pyrazol-1-yl)ethan-1-one (CAS 324009-25-8)
- (+/-)-OPC 4 136845-17-5 3-oxo-2(2'[Z]-pentenyl)-cyclopentane-1-butanoic acid CMC_7395 Cyclopentanebutanoic acid, 3-oxo-2-(2-pentenyl)-, [1alpha,2alpha(Z)]- Cyclopentanebutanoic acid, 3-oxo-2-(2-pentenyl)-, [1alpha,2alpha(Z)]-(?)- Cyclopentanebutanoic acid, 3-oxo-2-(2Z)-2-pentenyl-, (1R,2R)-rel- (9CI) OPC 4 OPC-4:0 cyclopentanebutanoic acid, 3-oxo-2-[(2Z)-2-pentenyl]-, (1R,2R)- (CAS 136845-17-5)
- Ethyl 2-fluoro-6-(trifluoromethyl)benzoate (CAS 773134-93-3)
- (2E)-N-[3-(Morpholin-4-yl)propyl]-2-phenyl-3-(thiophen-2-yl)prop-2-enamide (CAS 478078-96-5)
- 2-Methyl-6-[(methylsulfanyl)methyl]pyrimidin-4-ol (CAS 68087-18-3)
- Tirzepatide Impurity 16 (CAS CATO-C4X-324016)
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