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4-Bromo-2-fluoro-3-(trifluoromethyl)pyridine - ≥95% , CAS No.1227496-58-3
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature
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Why this grade
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥95%
Nombres e identificadores
| Sonrisas canónicas | C1=CN=C(C(=C1Br)C(F)(F)F)F |
|---|---|
| IUPAC Name | 4-bromo-2-fluoro-3-(trifluoromethyl)pyridine |
| InChIKey | YXFXSFBFEPFSAK-UHFFFAOYSA-N |
| INCHI | 1S/C6H2BrF4N/c7-3-1-2-12-5(8)4(3)6(9,10)11/h1-2H |
| Isómeros SMILES | C1=CN=C(C(=C1Br)C(F)(F)F)F |
| PubChem CID | 56604237 |
| Peso molecular | 243.98 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
- Clase Pyridines and derivatives
- Subclass Halopyridines
- Clase Pyridines and derivatives
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyridines and derivatives |
| Subclass | Halopyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Polyhalopyridines |
| Alternative Parents | 2-halopyridines Aryl fluorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Polyhalopyridine - 2-halopyridine - Aryl bromide - Aryl fluoride - Aryl halide - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom. |
| External Descriptors | Not available |
Estructura 3D
Modelo de Estructura Química Interactiva
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
| Peso molecular | 243.980 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 242.931 Da |
| Monoisotopic Mass | 242.931 Da |
| Topological Polar Surface Area | 12.900 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 160.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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