Methyl 4-chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate CAS 2096994-75-9
| CAS No. | 2096994-75-9 |
| Molecular Formula | C13H16BClO4 |
| Molecular Weight | 282.53 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 282.53 g/mol gives Methyl 4-chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Methyl 4-chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate (CAS 2096994-75-9), molecular formula C13H16BClO4 and molecular weight 282.53 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C13H16BClO4, Methyl 4-chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate contains a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 282.53 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 4-chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)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 | C13H16BClO4 |
| Molecular Weight | 282.53 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation |
| 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) | 5.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | Cl-containing |
Related Methyl Standards
- (4-Chloro-3-(4-methylpiperazine-1-carbonyl)phenyl)boronic acid (CAS 1704073-98-2)
- 2-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid (CAS 2096331-90-5)
- 2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid (CAS 890839-31-3)
- 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid (CAS 936728-21-1)
- 2-Chloro-5-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)benzoic acid (CAS 2096995-09-2)
- 2-Chloro-6-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)benzoic acid (CAS 2096996-44-8)
- 3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid (CAS 904310-72-1)
- 4-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid (CAS 2377606-42-1)
Recommended Standards
- 5-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid (CAS 891843-31-5)
- Methyl 4-chloro-3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate (CAS 2096994-73-7)
- 4-Chloro-3-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)benzoic acid (CAS 2096997-49-6)
- 1-[5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl]-1-butanone (CAS 111468-91-8)
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