4,4,5,5-Tetramethyl-1,3,2-dioxaborolane - ≥97% , CAS No.25015-63-8

CAS: 25015-63-8 Cat. No.: T113748 Peso molecular: 127.98 Número EC: 607-485-3 PubChem CID: 6364989

GRADE & PURITY ≥97%

Synonyms

EC 607-485-3 | boronic acid pinacol ester | 4,4,5,5-Tetramethyl-1,3,2-dioxaborolane | 4,4,5,5-tetramethyl-1,3,2-dioxa-borolane | T2572 | DTXSID30422852 | EN300-73933 | SCHEMBL80492 | 4,4,5,5-tetramethyl-1,3,2$l^{2} | Pinacolborane, 1.0M in THF | AS-40957

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

EC 607-485-3 | boronic acid pinacol ester | 4, 4, 5, 5-Tetramethyl-1, 3, 2-dioxaborolane | 4, 4, 5, 5-tetramethyl-1, 3, 2-dioxa-borolane | T2572 | DTXSID30422852 | EN300-73933 | SCHEMBL80492 | 4, 4, 5, 5-tetramethyl-1, 3, 2$l^{2} | Pinacolborane, 1.0M in THF | AS-40957

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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]1OC(C(O1)(C)C)(C)C
• InChIKey: LZPWAYBEOJRFAX-UHFFFAOYSA-N
• INCHI: 1S/C6H12BO2/c1-5(2)6(3,4)9-7-8-5/h1-4H3
• Isómeros SMILES: [B]1OC(C(O1)(C)C)(C)C
• WGK Alemania: 3
• PubChem CID: 6364989
• Número ONU: 3398
• Peso molecular: 127.98
• Reaxy-Rn: 7802871

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Dioxaborolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Dioxaborolanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Dioxaborolanes
• Alternative Parents: Oxacyclic compounds Organic metalloid salts Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,3,2-dioxaborolane - Oxacycle - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dioxaborolanes. These are compounds containing a five-member saturated aliphatic heterocycle made up of two oxygen atoms, a boron atom, and three 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

• Sensibilidad: Moisture sensitive;Air sensitive;heat sensitive
• Índice de refracción: 1.394-1.396
• Punto de inflamación (°F): 5℃
• Punto de inflamación (°C): 5℃
• Punto de ebullición (°C): 43 °C/50 mmHg
• Peso molecular: 126.970 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 127.093 Da
• Monoisotopic Mass: 127.093 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 106.000
• 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

Referencias

1. Zhiyuan Li, Yanan Dai, Lishuang Shi, Weihao Wu, Hongyan Xie, Zehuai Mou.  (2025)  Trifluoromethyl-Containing β-Diketiminato-Magnesium Complexes: Synthesis, Structures, and Catalysis for the Hydroboration of Carbodiimides.  APPLIED ORGANOMETALLIC CHEMISTRY,  39  (6): (e70185).  [PMID:] [10.1002/aoc.70185]