3-(Trifluoromethyl)pyrazole-4-carbonitrile CAS 318951-60-9
| CAS No. | 318951-60-9 |
| Molecular Formula | C5H2F3N3 |
| Molecular Weight | 161.08 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-(Trifluoromethyl)pyrazole-4-carbonitrile is closely related to a nitrile group, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-(Trifluoromethyl)pyrazole-4-carbonitrile (CAS 318951-60-9), molecular formula C5H2F3N3 and molecular weight 161.08 g/mol, is a CATO reference standard with documented purity and traceability.
3-(Trifluoromethyl)pyrazole-4-carbonitrile (C5H2F3N3) contains 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C5H2F3N3 |
| Molecular Weight | 161.08 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 |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Trifluoromethyl Standards
- 2-(Trifluoromethyl)furan-3-carbonitrile (CAS 1248559-84-3)
- 1-(Trifluoromethyl)-1H-pyrazole-4-carbonitrile (CAS 1706464-06-3)
- 5-(Trifluoromethyl)-1H-imidazole-4-carbonitrile (CAS 1935440-02-0)
- 5-(Trifluoromethyl)-1H-pyrazole-3-carbonitrile (CAS 2166776-07-2)
- 5-(Trifluoromethyl)furan-2-carbonitrile (CAS 65865-27-2)
- 2-Methyl-4-(trifluoromethyl)pyridine (CAS 106877-17-2)
- 2-Methyl-3-(trifluoromethyl)pyridine (CAS 106877-18-3)
- 4-Methyl-3-(trifluoromethyl)pyridine (CAS 1214344-10-1)
Recommended Standards
- 2,3,5-Trifluoropyridine-4-carbaldehyde (CAS 266312-20-3)
- Diallylselane (CAS 127699-25-6)
- 2,3,6-Trifluoropyridine-4-carbaldehyde (CAS 1261269-91-3)
- 2-(Difluoromethyl)-5-hydroxypyridin-4(1H)-one (CAS 1064077-25-3)
- Methyl 5-propyl-1H-pyrazole-3-carboxylate (CAS 326922-48-9)
- thieno[3,2-c]pyridine-2-carbaldehyde (CAS 94226-19-4)
- 4-(tert-Butyl)-2-chloropyrimidine-5-carbonitrile (CAS 2357143-11-2)
- 1-(Methyl-D3)-4-nitro-3-propyl-1H-pyrazole-5-carboxylic Acid (CAS 526203-29-2)
- (S)-2-Isobutyramido-N-(5-methylisoxazol-3-yl)-3-phenylpropanamide (CAS 1134368-62-9)
- 2-(Aminomethyl)-4-methylphenol (CAS 65456-39-5)
- 3-Chloro-2-(4-iodophenoxy)-5-(trifluoromethyl)pyridine (CAS 1053658-85-7)
- 2-chloro-N-(2-chloro-6-methylphenyl)propanamide (CAS 572881-05-1)
- Secretin (human) (CAS 108153-74-8)
- Mast Cell Degranulating (MCD) Peptide HR-2 (CAS 80388-04-1)
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