3-(2-Cyanopropan-2-yl)-5-(trifluoromethoxy)benzoic acid, sodium salt CAS 2694009-72-6
| CAS No. | 2694009-72-6 |
| Molecular Formula | C12H10F3NO3 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-(2-Cyanopropan-2-yl)-5-(trifluoromethoxy)benzoic acid, sodium salt (CAS 2694009-72-6) is a high-purity analytical reference standard with the molecular formula C12H10F3NO3HNa and a molecular weight of 297.21 g/mol.
The molecular framework of 3-(2-Cyanopropan-2-yl)-5-(trifluoromethoxy)benzoic acid, sodium salt (C12H10F3NO3HNa) 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 its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
CATO manufactures 3-(2-Cyanopropan-2-yl)-5-(trifluoromethoxy)benzoic acid, sodium salt under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C12H10F3NO3 HNa |
| Molecular Weight | 297.21 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-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 chloroform, dichloromethane, ethyl acetate, 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) | 6.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2002 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Cyanopropan Standards
- benzyl (2-cyanopropan-2-yl)carbamate (CAS 100134-82-5)
- ethyl 3-(2-cyanopropan-2-yl)benzoate (CAS 1012342-24-3)
- (E)-2-(2-Cyanopropan-2-yl)diazenecarboxamide (CAS 10288-28-5)
- N-(4-(2-Cyanopropan-2-yl)-3-(pyridin-3-yl)phenyl)-3,4-dimethoxybenzamide (CAS 1067191-08-5)
- 4-(2-Cyanopropan-2-yl)-2-ethoxybenzoic acid (CAS 1086398-40-4)
- (6-(2-Cyanopropan-2-yl)pyridin-3-yl)boronic acid (CAS 1093878-25-1)
- n-(4-(2-Cyanopropan-2-yl)phenyl)acetamide (CAS 115279-58-8)
- Methyl 3-(2-cyanopropan-2-yl)-4-methoxybenzoate (CAS 1191944-14-5)
Recommended Standards
- 5-(4-Bromobenzoyl)-2-phenyl-1,3-thiazole (CAS 52421-62-2)
- 3-Isopropylpyridin-2(1H)-one (CAS 1417519-11-9)
- 2-(O-tolyl)pyrimidine-5-carbaldehyde (CAS 876710-73-5)
- 1-(5-Fluoro-1H-indol-2-yl)ethanone (CAS 1219930-11-6)
- 2-Methoxy-4-nitro-1,1'-biphenyl (CAS 15862-01-8)
- 2-(5-(Ethoxymethyl)-1,2,4-oxadiazol-3-yl)-N-methylethanamine hydrochloride (CAS 1247200-71-0)
- 2-((6-Methylimidazo[1,2-a]pyridin-2-yl)methoxy)benzoic acid (CAS 1095491-96-5)
- 6-Methyl-3-(4-methylphenyl)-5-(morpholin-4-yl)-1,2,4-triazine (CAS 339103-89-8)
- 3,4-Dimethoxy-N-[4-(3-nitrophenyl)-2-thiazolyl]benzenesulfonamide (CAS 199666-03-0)
- Q-Peptide trifluoroacetate salt (CAS 1361235-89-3)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
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