4-Amino-3-fluoro-5-(trifluoromethyl)benzonitrile CAS 953091-29-7
| CAS No. | 953091-29-7 |
| Molecular Formula | C8H4F4N2 |
| Molecular Weight | 204.12 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 4-Amino-3-fluoro-5-(trifluoromethyl)benzonitrile (C8H4F4N2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution. 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 204.12 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.
4-Amino-3-fluoro-5-(trifluoromethyl)benzonitrile (CAS 953091-29-7) is a high-purity analytical reference standard with the molecular formula C8H4F4N2 and a molecular weight of 204.12 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 | C8H4F4N2 |
| Molecular Weight | 204.12 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.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Amino Standards
- 4-Amino-3-fluoro-2-(trifluoromethyl)benzonitrile (CAS 1095188-12-7)
- 4-Amino-5-fluoro-2-(trifluoromethyl)benzonitrile (CAS 1398046-66-6)
- 2-Amino-4-fluoro-3-(trifluoromethyl)benzonitrile (CAS 1440535-22-7)
- 4-Amino-2-fluoro-3-(trifluoromethyl)benzonitrile (CAS 1448858-64-7)
- 2-Amino-6-fluoro-4-(trifluoromethyl)benzonitrile (CAS 1807176-08-4)
- 2-Amino-3-fluoro-6-(trifluoromethyl)benzonitrile (CAS 186517-08-8)
- Sodium 5-amino-2-nitrobenzoate (CAS 1951444-76-0)
- 4-Amino-6-(difluoromethyl)-5-hydroxypicolinic acid (CAS 1803698-12-5)
Recommended Standards
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- 4-Ethynyl-2-fluoro-1-(trifluoromethoxy)benzene (CAS 912617-68-6)
- 4,5,6,7-Tetrafluoro-2-methyl-1H-benzo[d]imidazole (CAS 81430-75-3)
- 5-Fluoro-2-(trifluoromethyl)-1H-benzo[d]imidazole (CAS 3671-47-4)
- 4,7-Dichloro-2-(pyridin-4-yl)quinazoline (CAS 1269742-32-6)
- (R)-3-methyl-2-(1-oxoisoindolin-2-yl)butanoic acid (CAS 298700-69-3)
- 3-((4-Chlorophenyl)sulfonyl)-1-(furan-2-ylmethyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one (CAS 606953-01-9)
- 2-(2-(Dimethylamino)pyridin-3-yl)pyrrolidine-1-carbaldehyde (CAS 1352523-43-3)
- (5-Chloro-indan-1-yl)-methanol (CAS 711017-67-3)
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- VOC Mix 32 (CAS CATO-MCEM501657)
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