(2,6-Difluoropyridin-4-yl)boronic acid(contains varying amounts of Anhydride) - ≥97% , CAS No.401816-16-8

CAS: 401816-16-8 Cat. No.: D290719 Peso molecular: 158.90 Número EC: 816-376-1

GRADE & PURITY ≥97%

Synonyms

AKOS005063808 | MFCD04114289 | 2,6-difluoropyridine-4-boronic acid, AldrichCPR | A824963 | SY047779 | [2,6-bis(fluoranyl)pyridin-4-yl]boronic acid | (2,6-difluoropyridin-4-yl)boronic Acid | AS-39263 | BORONIC ACID, (2,6-DIFLUORO-4-PYRIDINYL)- | J-500608 |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

AKOS005063808 | MFCD04114289 | 2, 6-difluoropyridine-4-boronic acid, AldrichCPR | A824963 | SY047779 | [2, 6-bis(fluoranyl)pyridin-4-yl]boronic acid | (2, 6-difluoropyridin-4-yl)boronic Acid | AS-39263 | BORONIC ACID, (2, 6-DIFLUORO-4-PYRIDINYL)- | J-500608 |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: B(C1=CC(=NC(=C1)F)F)(O)O
• IUPAC Name: (2,6-difluoropyridin-4-yl)boronic acid
• InChIKey: KMEJCVYIVUQTSP-UHFFFAOYSA-N
• INCHI: 1S/C5H4BF2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2,10-11H
• Isómeros SMILES: B(C1=CC(=NC(=C1)F)F)(O)O
• Peso molecular: 158.90
• Reaxy-Rn: 14217940
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14217940&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: 2-halopyridines Aryl fluorides Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 2-halopyridine - Aryl fluoride - Aryl halide - Heteroaromatic compound - Boronic acid derivative - Boronic acid - Organic metalloid salt - Azacycle - Organopnictogen compound - Organic salt - Organonitrogen compound - Organofluoride - Organoboron compound - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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: 158.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 159.03 Da
• Monoisotopic Mass: 159.03 Da
• Topological Polar Surface Area: 53.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 128.000
• 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

XLogP3