1-(3-Chlorophenyl)-2,2,2-trifluoroethanone CAS 321-31-3
| CAS No. | 321-31-3 |
| Molecular Formula | C8H4ClF3O |
| Molecular Weight | 208.56 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C8H4ClF3O, 1-(3-Chlorophenyl)-2,2,2-trifluoroethanone contains a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 208.56 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
1-(3-Chlorophenyl)-2,2,2-trifluoroethanone (CAS 321-31-3), molecular formula C8H4ClF3O and molecular weight 208.56 g/mol, is a CATO reference standard with documented purity and traceability.
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.
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 | C8H4ClF3O |
| Molecular Weight | 208.56 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F/Cl-containing |
Related Chlorophenyl Standards
- 3-(4-Chlorophenyl)-1,2,4-oxadiazole-5-carbaldehyde (CAS 73217-76-2)
- 3-(4-Chlorophenyl)furan-2,5-dione (CAS 3152-15-6)
- 5-(3-Chlorophenyl)-1,3,4-oxadiazole-2-carbaldehyde (CAS 944907-07-7)
- 5-(4-Chlorophenyl)-1,3,4-oxadiazole-2-carbaldehyde (CAS 944897-86-3)
- (E)-2-(4-chlorophenyl)-3-(methoxyimino)propanenitrile (CAS 1013061-60-3)
- (5-(4-Chlorophenyl)isoxazol-3-yl)methanamine (CAS 1018662-18-4)
- 2-(4-Chlorophenyl)imidazole-5-methanol (CAS 1053657-17-2)
- 6-(4-Chlorophenyl)-4,5-dihydropyridazin-3(2H)-one (CAS 1079-73-8)
Recommended Standards
- 3,4,5-Trifluorophenylacetyl chloride (CAS 849623-76-3)
- 3-Chloro-4-(trifluoromethyl)benzaldehyde (CAS 83279-38-3)
- 2-Chloro-6-(trifluoromethyl)benzaldehyde (CAS 60611-22-5)
- 3-Chloro-5-(trifluoromethyl)benzaldehyde (CAS 477535-43-6)
- (2R,4R)-1-Boc-2-Methyl-4-phenoxypyrrolidine-2-carboxylic acid (CAS 198969-19-6)
- 2-Benzylthio-6-chloropurine (CAS 51998-91-5)
- Pcb No. 110 (CAS 38380-03-9)
- Pyrimidin-4-ylmethanethiol (CAS 119979-37-2)
- 6-Chloro-2h-chromene-3-sulfonyl chloride (CAS 1235441-66-3)
- 2-Methyl-1-(10H-phenothiazin-10-yl)prop-2-en-1-one (CAS 64339-55-5)
- 4-Amino-3-(3-(methoxymethyl)phenyl)butanoic acid (CAS 1497825-70-3)
- (S)-3-Azido-2-(Fmoc-amino)propionic acid 684270-46-0 Fmoc-3-azido-L-alanine Fmoc-|A-azido-Ala-OH (CAS 684270-46-0)
- N,N-dimethyl-1-(3-(trifluoromethyl)phenyl)-1H-tetrazol-5-amine (CAS 338417-24-6)
- Semaglutide Impurity 187 (CAS CATO-C4X-2226187)
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