5-Nitro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile CAS 1565857-68-2
| CAS No. | 1565857-68-2 |
| Molecular Formula | C13H15BN2O4 |
| Molecular Weight | 274.08 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-Nitro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (CAS 1565857-68-2), molecular formula C13H15BN2O4 and molecular weight 274.08 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 5-Nitro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (C13H15BN2O4) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 7.5, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 274.08 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C13H15BN2O4 |
| Molecular Weight | 274.08 g/mol |
| Appearance | Off-white to pale yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 7.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1993 |
| Nitrogen Atoms | 2 |
Related Nitro Standards
- 4-Nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (CAS 1218791-27-5)
- 4-Nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (CAS 1218791-28-6)
- 3-Nitro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (CAS 1392812-18-8)
- 2-Nitro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (CAS 2055777-49-4)
- 3-Nitro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (CAS 775351-58-1)
- 2-Nitro-3,6-bis(trifluoromethyl)aniline (CAS 1351516-08-9)
- 2-Nitro-4,5-bis(trifluoromethyl)aniline (CAS 35010-32-3)
- 2-Nitro-4,6-bis(trifluoromethyl)aniline (CAS 320-21-8)
Recommended Standards
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