4-Bromo-2-fluoro-5-methylpyridine - ≥95% , CAS No.1227577-02-7

CAS: 1227577-02-7 Cat. No.: B586692 Peso molecular: 190.01 Número EC: 851-660-9

GRADE & PURITY ≥95%

Synonyms

SCHEMBL19743779 | EN300-200658 | 4-Bromo-2-fluoro-5-methylpyridine 95% | SY032437 | A903813 | MFCD16609965 | 4-BROMO-2-FLUORO-5-METHYLPYRIDINE | 4-Bromo-2-fluoro-5-methyl-pyridine | AB71091 | BS-14635 | 1227577-02-7 | Pyridine, 4-bromo-2-fluoro-5-methyl-

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL19743779 | EN300-200658 | 4-Bromo-2-fluoro-5-methylpyridine 95% | SY032437 | A903813 | MFCD16609965 | 4-BROMO-2-FLUORO-5-METHYLPYRIDINE | 4-Bromo-2-fluoro-5-methyl-pyridine | AB71091 | BS-14635 | 1227577-02-7 | Pyridine, 4-bromo-2-fluoro-5-methyl-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC1=CN=C(C=C1Br)F
• IUPAC Name: 4-bromo-2-fluoro-5-methylpyridine
• InChIKey: MGEKKKTXWYECMW-UHFFFAOYSA-N
• INCHI: 1S/C6H5BrFN/c1-4-3-9-6(8)2-5(4)7/h2-3H,1H3
• Isómeros SMILES: CC1=CN=C(C=C1Br)F
• Peso molecular: 190.01
• Reaxy-Rn: 21950090
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21950090&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: Methylpyridines 2-halopyridines Aryl fluorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 2-halopyridine - Methylpyridine - Aryl halide - Aryl fluoride - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 190.010 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 188.959 Da
• Monoisotopic Mass: 188.959 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.100
• 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