Pyridine-2-boronic acid(contains varying amounts of Anhydride) - ≥95% , CAS No.197958-29-5

CAS: 197958-29-5 Cat. No.: P123314 Molecular Weight: 122.92 EC Number: 803-283-6

GRADE & PURITY ≥95%

Synonyms

Pyridine-2-boronic acid | pyridinylboronic acid | AC-956 | FT-0602133 | SY002440 | 2-Pyridinylboronicacid | A813951 | BBL100211 | pyridin-2-yl boronic acid | (pyridin-2-yl)boronic acid | DS-3761 | Pyridin-2-ylboronic Acid | pyridin-2-yl-boronic acid | UML

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Pyridine-2-boronic acid is used as a key starting material for the formation of pyridyl boronic ester such as pyridine-2-boronic acid dimethyl ester. Furthermore, the dimethyl ester reacts with bromquinoline to prepare the 2-pyridyl derivative of quinoline.

Specifications

Synonyms

Pyridine-2-boronic acid | pyridinylboronic acid | AC-956 | FT-0602133 | SY002440 | 2-Pyridinylboronicacid | A813951 | BBL100211 | pyridin-2-yl boronic acid | (pyridin-2-yl)boronic acid | DS-3761 | Pyridin-2-ylboronic Acid | pyridin-2-yl-boronic acid | UML

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504761684
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761684
• Canonical Smiles: B(C1=CC=CC=N1)(O)O
• IUPAC Name: pyridin-2-ylboronic acid
• InChIKey: UMLDUMMLRZFROX-UHFFFAOYSA-N
• INCHI: 1S/C5H6BNO2/c8-6(9)5-3-1-2-4-7-5/h1-4,8-9H
• Isomeric SMILES: B(C1=CC=CC=N1)(O)O
• WGK Germany: 3
• Molecular Weight: 122.92
• Reaxy-Rn: 386646
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386646&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organoboron compound - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): >300°C
• Molecular Weight: 122.920 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 123.049 Da
• Monoisotopic Mass: 123.049 Da
• Topological Polar Surface Area: 53.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 89.000
• 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