3-Amino-2-(trifluoromethyl)benzonitrile CAS 1369869-39-5
| CAS No. | 1369869-39-5 |
| Molecular Formula | C8H5F3N2 |
| Molecular Weight | 186.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-Amino-2-(trifluoromethyl)benzonitrile (C8H5F3N2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
3-Amino-2-(trifluoromethyl)benzonitrile (CAS 1369869-39-5) is a high-purity analytical reference standard with the molecular formula C8H5F3N2 and a molecular weight of 186.13 g/mol.
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 | C8H5F3N2 |
| Molecular Weight | 186.13 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Amino Standards
- 4-Amino-1-methyl-5-nitro-1H-pyrazole-3-carboxylic acid (CAS 107259-81-4)
- 3-Amino-4-(trifluoromethyl)benzonitrile (CAS 1220630-83-0)
- 2-Amino-5-ethynyl-4-(trifluoromethyl)pyridine (CAS 1321612-90-1)
- 2-Amino-4-(trifluoromethoxy)butanamide (CAS 1481445-46-8)
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- 3-Amino-5-(trifluoromethyl)benzonitrile (CAS 49674-28-4)
Recommended Standards
- 5-Methyl-3-(trifluoromethyl)picolinonitrile (CAS 1360883-21-1)
- 6-(2,2,2-Trifluoroethyl)nicotinonitrile (CAS 1379055-74-9)
- 6-Methyl-4-(trifluoromethyl)nicotinonitrile (CAS 13600-49-2)
- 7-(Trifluoromethyl)benzofuran (CAS 1388059-49-1)
- Eslicarbazepine (CAS 104746-04-5)
- 1-(Benzyloxy)-3-chloro-2-fluoro-5-(trifluoromethyl)benzene (CAS 2586127-04-8)
- Ethyl 4-Aminopyrrole-2-carboxylate (CAS 67318-12-1)
- 4,4-Difluoroisoquinoline-1,3(2H,4H)-dione (CAS 1443981-83-6)
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- N-(3-Oxo-1-(2-oxo-2-(phenylamino)ethyl)-2-phenyl-2,3-dihydro-1H-indazol-5-yl)propionamide (CAS 1251615-54-9)
- 3-(2,5-Dimethyl-1H-pyrrol-1-yl)-1,1-diethylguanidine (CAS 787498-19-5)
- Aprepitant Impurity 7 (CAS 1242175-34-3)
- (3,3,5,5-Tetramethylcyclohexyl)methanamine hydrochloride (CAS 219835-66-2)
- 59880-97-6 Chemotactic peptide F-Met-Leu-Phe L-Phenylalanine, N-(N-(N-formyl-L-methionyl)-L-leucyl)- N-Formyl-L-methionyl-L-leucyl-L-phenylalanine N-Formyl-Met-Leu-Phe N-Formylmethionine leucyl-phenylalanine fMLF fMLP (misnomer but widely used) (CAS 59880-97-6)
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