N-(2-Chloro-4-cyanophenyl)-2,2,2-trifluoroacetamide CAS 1870951-83-9
| CAS No. | 1870951-83-9 |
| Molecular Formula | C9H4ClF3N2O |
| Molecular Weight | 248.59 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 248.59 g/mol gives N-(2-Chloro-4-cyanophenyl)-2,2,2-trifluoroacetamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
N-(2-Chloro-4-cyanophenyl)-2,2,2-trifluoroacetamide (CAS 1870951-83-9), molecular formula C9H4ClF3N2O and molecular weight 248.59 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, N-(2-Chloro-4-cyanophenyl)-2,2,2-trifluoroacetamide (C9H4ClF3N2O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 248.59 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C9H4ClF3N2O |
| Molecular Weight | 248.59 g/mol |
| Appearance | Off-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 tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
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- 7-Chloro-6-(trifluoromethyl)cinnolin-4(1H)-one (CAS 1698027-73-4)
- 3-Chloro-6-(furan-2-yl)-4-(trifluoromethyl)pyridazine (CAS 929971-89-1)
- Cinnamyl Acetate (CAS 103-54-8)
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- N-(4,5-Dihydronaphtho[1,2-d]thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide (CAS 557782-81-7)
- 1-(2-Hydroxypropyl)-3-phenylthiourea (CAS 29146-64-3)
- 1-Chloro-5-(chloromethyl)-2,4-difluorobenzene (CAS 1429422-43-4)
- 4-Isopropyl-2-phenyl-1H-imidazole (CAS 887588-11-6)
- N-(7-benzoyl-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-methylbenzenesulfonamide (CAS 886493-75-0)
- 3-Amino-4-(pyrrolidin-1-yl)benzamide (CAS 797814-02-9)
- 1H,4H,5H,6H-cyclopenta[d]imidazole-2-thiol (CAS 10442-99-6)
- C-telopeptide (CAS 162929-64-8)
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