1-Chloro-2-ethynyl-4-(trifluoromethyl)benzene CAS 148258-94-0
| CAS No. | 148258-94-0 |
| Molecular Formula | C9H4ClF3 |
| Molecular Weight | 204.58 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-Chloro-2-ethynyl-4-(trifluoromethyl)benzene is closely related to fluorine/chlorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 1-Chloro-2-ethynyl-4-(trifluoromethyl)benzene (CAS 148258-94-0), a certified reference material (molecular formula C9H4ClF3, MW 204.58 g/mol) for analytical method development and quality control.
Structurally, 1-Chloro-2-ethynyl-4-(trifluoromethyl)benzene (C9H4ClF3) contains fluorine/chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 204.58 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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-Chloro-2-ethynyl-4-(trifluoromethyl)benzene 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 | C9H4ClF3 |
| Molecular Weight | 204.58 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 tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1999 |
| Halogen Content | F/Cl-containing |
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- Methyl 4-chloro-2-fluoro-5-hydroxybenzoate (CAS 141852-67-7)
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