2-((3-(Trifluoromethyl)phenyl)amino)ethene-1,1,2-tricarbonitrile CAS 113710-34-2
| CAS No. | 113710-34-2 |
| Molecular Formula | C12H5F3N4 |
| Molecular Weight | 262.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-((3-(Trifluoromethyl)phenyl)amino)ethene-1,1,2-tricarbonitrile (CAS 113710-34-2) is a high-purity analytical reference standard with the molecular formula C12H5F3N4 and a molecular weight of 262.19 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution, 2-((3-(Trifluoromethyl)phenyl)amino)ethene-1,1,2-tricarbonitrile is typically pale yellow to yellow low-melting solid. Its solid-state physicochemical attributes — including a molecular weight of 262.19 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 | C12H5F3N4 |
| Molecular Weight | 262.19 g/mol |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
Related Trifluoromethyl Standards
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- N-[5-(Trifluoromethyl)pyridin-2-yl]valine (CAS 1028251-32-2)
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- 6-Phenyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CAS 1146221-89-7)
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Recommended Standards
- 2-Bromo-1-(2-ethylpiperidin-1-yl)butan-1-one (CAS 1119452-99-1)
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- 2,2,2-Trifluoroethyl (4-carbamoylphenyl)carbamate (CAS 1087788-90-6)
- 4-(Bromomethyl)nicotinonitrile (CAS 116986-15-3)
- N-(2-Methylbenzo[d]thiazol-6-yl)-2-(4-(methylthio)phenyl)acetamide (CAS 899967-79-4)
- 7-Bromo-2-oxo-2,3,4,5-tetrahydro-1h-1-benzazepine-8-sulfonyl chloride (CAS 1510010-92-0)
- 3-(2,3,4-Trifluorophenyl)propanoic acid (CAS 377084-05-4)
- 6-Bromo-2-(hydroxymethyl)-4-methylbenzimidazole (CAS 1565461-85-9)
- 2-ethoxy-3-methoxybenzaldehyde (CAS 66799-97-1)
- Ethyl 3-(7-hydroxy-4-methyl-2-oxo-2h-chromen-6-yl)propanoate (CAS 929338-95-4)
- 6-Bromo-3-phenyl-2-sulfanyl-3,4-dihydroquinazolin-4-one (CAS 18009-07-9)
- 2,4-Dimethylbenzonitrile (CAS 21789-36-6)
- 5-Bromo-3-difluoromethoxy-4-nitrotoluene (CAS 1805527-60-9)
- Semaglutide impurity 51 (CAS CATO-C4X-222651)
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