(3-Cyano-4-(2,2,2-trifluoroethoxy)phenyl)boronic acid CAS 876918-84-2
| CAS No. | 876918-84-2 |
| Molecular Formula | C9H7BF3NO3 |
| Molecular Weight | 244.96 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies (3-Cyano-4-(2,2,2-trifluoroethoxy)phenyl)boronic acid (CAS 876918-84-2), a certified reference material (molecular formula C9H7BF3NO3, MW 244.96 g/mol) for analytical method development and quality control.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, (3-Cyano-4-(2,2,2-trifluoroethoxy)phenyl)boronic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 244.96 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C9H7BF3NO3 |
| Molecular Weight | 244.96 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, 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) | 5.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Cyano Standards
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Recommended Standards
- 706-79-6 Cyclopentene, 1,2-dichlorohexafluoro- Cyclopentene, 1,2-dichloro-3,3,4,4,5,5-hexafluoro- 1,2-Dichlorohexafluorocyclopentene 4-05-00-00213 (Beilstein Handbook Reference) BRN 2053012 Cyclopentene-26 1,2-Dichlorohexafluoro-1-cyclopentene 1,2-Dichloro-3,3,4,4,5,5-hexafluorocyclopentene 1,2-Dichloroperfluorocyclopentene EINECS 211-895-4 NSC 41877 (CAS 706-79-6)
- 2-(Bromomethyl)-1,1,1,3,3,3-hexafluoropropane (CAS 382-14-9)
- 2338-05-8 Ferric citrate [USAN] Ferric citrate 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, iron salt (1:?) 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, iron salt CCRIS 6843 Citric acid, iron salt Iron citrate Iron 2-hydroxy-1,2,3-propanetricarboxylate Iron(III)-citrate Iron (III) citrate Auryxia Iron(III) citrate (CAS 2338-05-8)
- 2-Bromo-1,1,1,4,4,4-hexafluorobutane (CAS 2366-01-0)
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- Sodium 3,4,5-trifluorobenzoate (CAS 1180493-12-2)
- 3-(4-Benzylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine (CAS 1428139-17-6)
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