4-Ethynylphenylboronic acid pinacol ester - ≥95% , CAS No.1034287-04-1

CAS: 1034287-04-1 Cat. No.: E165553 Peso molecular: 228.09 Número EC: 804-854-2

GRADE & PURITY ≥95%

Synonyms

2-(4-Ethynyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane | 2-(4-Ethynyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]-dioxaborolane | 2-(4-Ethynylphenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane | 2-(4-Ethynylphenyl)-4,4,5,5-tetramethyl-[1,3,2]-dioxaborolane |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-(4-Ethynyl-phenyl)-4, 4, 5, 5-tetramethyl-[1, 3, 2]dioxaborolane | 2-(4-Ethynyl-phenyl)-4, 4, 5, 5-tetramethyl-[1, 3, 2]-dioxaborolane | 2-(4-Ethynylphenyl)-4, 4, 5, 5-tetramethyl-[1, 3, 2]dioxaborolane | 2-(4-Ethynylphenyl)-4, 4, 5, 5-tetramethyl-[1, 3, 2]-dioxaborolane |

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488201838
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C#C
• IUPAC Name: 2-(4-ethynylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• InChIKey: LOVNTFMVZVIASV-UHFFFAOYSA-N
• INCHI: 1S/C14H17BO2/c1-6-11-7-9-12(10-8-11)15-16-13(2,3)14(4,5)17-15/h1,7-10H,2-5H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C#C
• WGK Alemania: 3
• Peso molecular: 228.09
• Reaxy-Rn: 11212808
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11212808&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Acetylides Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Acetylide - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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): 66-70°C
• Peso molecular: 228.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 228.132 Da
• Monoisotopic Mass: 228.132 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 315.000
• 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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