2-Bromo-4-(cyanomethyl)-5-(difluoromethyl)nicotinonitrile CAS 1805441-77-3
| CAS No. | 1805441-77-3 |
| Molecular Formula | C9H4BrF2N3 |
| Molecular Weight | 272.05 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 2-Bromo-4-(cyanomethyl)-5-(difluoromethyl)nicotinonitrile (C9H4BrF2N3) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/bromine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
2-Bromo-4-(cyanomethyl)-5-(difluoromethyl)nicotinonitrile (CAS 1805441-77-3), molecular formula C9H4BrF2N3 and molecular weight 272.05 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C9H4BrF2N3 |
| Molecular Weight | 272.05 g/mol |
| Appearance | Pale yellow to 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
- 4-Bromo-3-(cyanomethyl)-5-(difluoromethyl)picolinonitrile (CAS 1805433-53-7)
- 6-Bromo-4-(cyanomethyl)-5-(difluoromethyl)nicotinonitrile (CAS 1805441-91-1)
- 4-Bromo-2-(cyanomethyl)-5-(difluoromethyl)nicotinonitrile (CAS 1805426-98-5)
- 2-(4-Bromobenzo[d]oxazol-2-yl)-2-hydroxyacetic acid (CAS 1806488-49-2)
- N-Hydroxy-5-((p-tolylthio)methyl)isoxazole-3-carboxamide (CAS 823220-02-6)
- Methyl 2-(Bromomethyl)-3-fluorobenzoate (CAS 142314-72-5)
- 3-(Benzyloxy)-2-chlorophenylboronic acid (CAS 2377611-50-0)
- BYS10- BP43 (CAS CATO-C3D-263284)
- 2,6-Dimethyl-4-(trifluoromethyl)aniline hydrochloride (CAS 1194046-26-8)
- Racecadotril Impurity 3 (CAS 16890-80-5)
- 2-Benzyl-4-methylpentanoic acid (CAS 85100-44-3)
- 1-Benzyl-3-methyl-1H-pyrazole-5-carboxylic acid (CAS 1141-70-4)
- Osimertinib Impurity 42 (CAS 3086362-46-8)
- Polymyxin B nonapeptide (CAS 86408-36-8)
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