3-Fluoropyridine-4-boronic acid (contains varying amounts of Anhydride) - ≥98% , CAS No.458532-97-3

CAS: 458532-97-3 Cat. No.: F123312 Peso molecular: 140.91 Número EC: 802-022-3

GRADE & PURITY ≥98%

Synonyms

3-Fluoropyridin-4-ylboronicacid | 3-fluoro-pyridine-4-boronic acid | 3-Fluoropyridine-4-boronic acid | 3-Fluoropyridine-4-boronicacid | AM20051204 | QUHSESYLMZVXCN-UHFFFAOYSA-N | SY059498 | A7192 | AKOS004119274 | 3-fluoro-4-pyridylboronic acid | 3-FLUORO

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

3-Fluoropyridin-4-ylboronicacid | 3-fluoro-pyridine-4-boronic acid | 3-Fluoropyridine-4-boronic acid | 3-Fluoropyridine-4-boronicacid | AM20051204 | QUHSESYLMZVXCN-UHFFFAOYSA-N | SY059498 | A7192 | AKOS004119274 | 3-fluoro-4-pyridylboronic acid | 3-FLUORO

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

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

≥98%

Nombres e identificadores

• Pubchem Sid: 504762039
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762039
• Sonrisas canónicas: B(C1=C(C=NC=C1)F)(O)O
• IUPAC Name: (3-fluoropyridin-4-yl)boronic acid
• InChIKey: QUHSESYLMZVXCN-UHFFFAOYSA-N
• INCHI: 1S/C5H5BFNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3,9-10H
• Isómeros SMILES: B(C1=C(C=NC=C1)F)(O)O
• Peso molecular: 140.91
• Reaxy-Rn: 9119921
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9119921&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: 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: Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Organic salt - Organopnictogen compound - Organonitrogen compound - Organofluoride - Organoboron compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

• Punto de fusión (°C): 237-239°C
• Peso molecular: 140.910 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 141.04 Da
• Monoisotopic Mass: 141.04 Da
• Topological Polar Surface Area: 53.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 114.000
• 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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