1-[3-nitro-5-(trifluoromethyl)phenyl]ethanone CAS 39174-87-3
| CAS No. | 39174-87-3 |
| Molecular Formula | C9H12F3NO3 |
| Molecular Weight | 239.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 1-[3-nitro-5-(trifluoromethyl)phenyl]ethanone (CAS 39174-87-3), a certified reference material (molecular formula C9H12F3NO3, MW 239.19 g/mol) for analytical method development and quality control.
Structurally, 1-[3-nitro-5-(trifluoromethyl)phenyl]ethanone (C9H12F3NO3) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 239.19 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.
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.
As a certified reference material (CRM), 1-[3-nitro-5-(trifluoromethyl)phenyl]ethanone meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C9H12F3NO3 |
| Molecular Weight | 239.19 g/mol |
| Appearance | 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1968 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related nitro Standards
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- 2-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid (CAS 1267029-54-8)
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Recommended Standards
- 1,3-Dimethyl-6-((2,2,2-trifluoroethyl)amino)pyrimidine-2,4(1H,3H)-dione (CAS 21544-65-0)
- 2-(1-(2,2,2-Trifluoroacetyl)piperidin-4-yl)acetic acid (CAS 933477-85-1)
- 1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-one (CAS 401607-52-1)
- 2-(3,4-Difluorophenoxy)-5-fluoroaniline (CAS 640767-04-0)
- (±)-α-Methyl-(4-sulfonophenyl)glycine (CAS 169209-64-7)
- 3-(Bromomethyl)-5-methylisoxazole (CAS 130628-75-0)
- 1,2-Dibromo-3-thiocyanatoprop-1-ene (CAS 102367-28-2)
- 1,1-Diethyl-3-(4-iodophenyl)urea (CAS 25434-10-0)
- tert-butyl 2-(2-bromoethoxy)benzoate (CAS 1803582-73-1)
- 2-Hydrazinyl-4-(1H-pyrazol-1-yl)pyrimidine (CAS 1514318-15-0)
- (1R,5S)-3-azabicyclo[3.2.1]Octane-8-carboxylic acid (CAS 1335234-10-0)
- Ethyl 2-(4-(4-isopropylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate (CAS 860785-28-0)
- 2-Amino-4-methyl-2-(trifluoromethyl)pentanoic acid (CAS 136030-50-7)
- Tirzepatide Impurity 15 (CAS CATO-C4X-324015)
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