ester pinacol del ácido 3-bromopiridina-4-borónico - ≥95% , CAS No.458532-92-8

CAS: 458532-92-8 Cat. No.: B332611 Peso molecular: 283.97 Número EC: 670-330-3

GRADE & PURITY ≥95%

Synonyms

FT-0717731 | DTXSID40660602 | (3-BROMOPYRIDIN-4-YL)BORONIC ACID PINACOL ESTER | BCP21913 | H10016 | 3-Bromo-4-(4,4,5,5-tetrametil-[1,3,3,2]dioxaborolan-2-il)-piridina | 3-Bromo-4-(4,4,5,5-tetrametil-[1,3,2]dioxaborolan-2-il)-piridina | 3-Bromopiridina-4-b

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Specifications

Sinónimos

FT-0717731 | DTXSID40660602 | (3-BROMOPYRIDIN-4-YL)BORONIC ACID PINACOL ESTER | BCP21913 | H10016 | 3-Bromo-4-(4, 4, 5, 5-tetrametil-[1, 3, 3, 2]dioxaborolan-2-il)-piridina | 3-Bromo-4-(4, 4, 5, 5-tetrametil-[1, 3, 2]dioxaborolan-2-il)-piridina | 3-Bromopiridina-4-b

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504770475
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770475
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=C(C=NC=C2)Br
• IUPAC Name: 3-bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• InChIKey: ICPLYAGDLDLVLB-UHFFFAOYSA-N
• INCHI: 1S/C11H15BBrNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-7-9(8)13/h5-7H,1-4H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=NC=C2)Br
• Peso molecular: 283.97
• Reaxy-Rn: 9124719
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9124719&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 bromides Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organobromide - Organic metalloid moeity - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - 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): 88-90℃
• Peso molecular: 283.960 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 283.038 Da
• Monoisotopic Mass: 283.038 Da
• Topological Polar Surface Area: 31.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 257.000
• 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