4-{[(2,2,2-trifluoroethyl)amino]methyl}benzonitrile hydrochloride CAS 1171852-57-5
| CAS No. | 1171852-57-5 |
| Molecular Formula | C10H9F3N2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 4-{[(2,2,2-trifluoroethyl)amino]methyl}benzonitrile hydrochloride 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.
4-{[(2,2,2-trifluoroethyl)amino]methyl}benzonitrile hydrochloride (CAS 1171852-57-5) is a high-purity analytical reference standard with the molecular formula C10H9F3N2HCl and a molecular weight of 250.65 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/chlorine substitution, 4-{[(2,2,2-trifluoroethyl)amino]methyl}benzonitrile hydrochloride is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 250.65 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
Physical & Chemical Properties
| Molecular Formula | C10H9F3N2 HCl |
| Molecular Weight | 250.65 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related trifluoroethyl Standards
- 2,2,2-trifluoroethyl 4-cyanophenylcarbamate (CAS 1000932-40-0)
- 5-(2,2,2-Trifluoroethyl)-1H-pyrazol-3-amine (CAS 1001354-48-8)
- 1-(2,2,2-Trifluoroethyl)-1H-pyrazole-5-carboxylic acid (CAS 1006340-71-1)
- 3-Methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine (CAS 1006448-59-4)
- Methyl 1-(2,2,2-trifluoroethyl)-1h-pyrazole-4-carboxylate (CAS 1006461-60-4)
- 3-Methyl-1-(2,2,2-trifluoroethyl)-1h-pyrazole-4-carbaldehyde (CAS 1006471-12-0)
- Ethyl 1-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxylate (CAS 1006486-11-8)
- 5-Methyl-1-(2,2,2-trifluoroethyl)-1h-pyrazole-3-carboxylic acid (CAS 1006486-45-8)
Recommended Standards
- 2-((5-Amino-1H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-4-fluorophenyl)acetamide (CAS 454675-74-2)
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- 1-(2,5-Dimethylfuran-3-carbonyl)piperidine-4-carboxylic acid (CAS 702636-74-6)
- 5-(4-(Hydroxymethyl)-3,5-dimethoxyphenoxy)pentanoic acid (CAS 134020-55-6)
- 3-Benzyl-9-methoxy-3,7-diazabicyclo[3.3.1]nonane dihydrochloride (CAS 1187930-61-5)
- 4-Methoxy-1,2,5-thiadiazole-3-carbaldehyde (CAS 78741-15-8)
- 5-Methyl-5H-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate (CAS 112359-25-8)
- 6-Bromo-2-chloro-3-fluoroaniline (CAS 1692142-65-6)
- 6-Methanesulfonylquinoline (CAS 89770-29-6)
- Liraglutide Impurity 16 TFA Salt (CAS CATO-C4X-199216)
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