4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzoic acid CAS 85559-46-2
| CAS No. | 85559-46-2 |
| Molecular Formula | C9H5F3N2O2 |
| Molecular Weight | 230.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzoic acid.
4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzoic acid (CAS 85559-46-2), molecular formula C9H5F3N2O2 and molecular weight 230.14 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzoic acid (C9H5F3N2O2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 | C9H5F3N2O2 |
| Molecular Weight | 230.14 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 DMSO, DMF, methanol |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1981 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
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- 1-Methyl-2-oxo-1,2-dihydropyridine-3-carbonyl chloride (CAS 84854-00-2)
- Des-Lys20(Side Chain)-Semaglutide (CAS CATO-C4X-2226280)
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