6-(Trifluoromethyl)pyrimidine-4-carbonitrile CAS 1359996-77-2
| CAS No. | 1359996-77-2 |
| Molecular Formula | C6H2F3N3 |
| Molecular Weight | 173.10 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
6-(Trifluoromethyl)pyrimidine-4-carbonitrile (CAS 1359996-77-2) is a high-purity analytical reference standard with the molecular formula C6H2F3N3 and a molecular weight of 173.10 g/mol.
Owing to a nitrile group, fluorine substitution, an aromatic ring system, 6-(Trifluoromethyl)pyrimidine-4-carbonitrile is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 173.10 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C6H2F3N3 |
| Molecular Weight | 173.10 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 | 3 |
Related Trifluoromethyl Standards
- 2-(Trifluoromethyl)pyrimidine-5-carbonitrile (CAS 1032229-36-9)
- 4-(Trifluoromethyl)pyrimidine-2-carbonitrile (CAS 1206459-86-0)
- 6-(Trifluoromethyl)pyridazine-3-carbonitrile (CAS 1206524-27-7)
- 4-(Trifluoromethyl)pyrimidine-5-carbonitrile (CAS 1260676-79-6)
- 5-(Trifluoromethyl)pyrazine-2-carbonitrile (CAS 1279818-65-3)
- 2-(Trifluoromethyl)pyrimidine-4-carbonitrile (CAS 916210-03-2)
- 5-(Trifluoromethyl)pyrimidine-2-carbonitrile (CAS 944905-38-8)
- o-(Trifluoromethyl)-d-serine (CAS 1286761-84-9)
Recommended Standards
- (3-Aminopropyl)(difluoromethyl)phosphinic acid (CAS 133345-73-0)
- 4,6,7-Trifluoro-1H-imidazo[4,5-c]pyridine (CAS 405230-95-7)
- 5-Fluoro-3-nitrobenzene-1,2-diol (CAS 698985-45-4)
- Favipiravir Impurity 1 (CAS CATO-C4X-21021)
- 4-Bromo-2-iodo-1H-pyrrolo[2,3-c]pyridine (CAS 1260381-74-5)
- 5-Nitro-1H-pyrazolo[3,4-b]pyridin-3-amine (CAS 1186608-97-8)
- tert-Butyl (3-bromo-2-methylpropyl)carbamate (CAS 1510268-47-9)
- 8-Bromoimidazo[1,2-a]pyridine-6-carbohydrazide (CAS 1427460-78-3)
- 1-Benzyl-4-chloro-1H-indazole (CAS 952734-43-9)
- 2,6-Dibromo-4-(difluoromethyl)pyridine (CAS 1804934-26-6)
- 4-Chloro-6-(chloromethyl)pyrimidin-2-amine (CAS 92311-35-8)
- Methyl 2-{[(tert-butoxy)carbonyl]amino}-3,3,3-trifluoropropanoate (CAS 1039356-94-9)
- 1-Phenyl-2-(triphenylsilyl)ethanol (CAS 18790-80-2)
- Tirzepatide Impurity 48 (CAS CATO-C4X-324048)
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