3-(Trifluoromethyl)benzoic Acid CAS 454-92-2
| CAS No. | 454-92-2 |
| Molecular Formula | C8H5F3O2 |
| Molecular Weight | 190.12 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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 supplies 3-(Trifluoromethyl)benzoic Acid (CAS 454-92-2), a certified reference material (molecular formula C8H5F3O2, MW 190.12 g/mol) for analytical method development and quality control.
Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system, 3-(Trifluoromethyl)benzoic Acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 190.12 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C8H5F3O2 |
| Molecular Weight | 190.12 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | >95% |
| Storage | Store at 2-8°C, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F-containing |
Related Trifluoromethyl Standards
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- 1-(6-(Trifluoromethyl)pyrazin-2-yl)ethan-1-one (CAS 1197233-19-4)
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- 3-(Trifluoromethyl)picolinaldehyde oxime (CAS 1280538-35-3)
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- 2-(Trifluoromethyl)isonicotinamide (CAS 1823892-98-3)
Recommended Standards
- 4-(Trifluoromethyl)nicotinamide (CAS 158062-71-6)
- L-Tyrosine-13C9 (CAS 55443-60-2)
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- 5-Amino-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carbonitrile (CAS 1082745-56-9)
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