4,4,5,5-Tetramethyl-2-(m-tolyl)-1,3,2-dioxaborolane - ≥98% , CAS No.253342-48-2

CAS: 253342-48-2 Cat. No.: T162800 Peso molecular: 218.1 Número EC: 675-045-8 PubChem CID: 2760598

GRADE & PURITY ≥98%

Synonyms

MFCD05864303 | A817792 | 3-tolylboronic acid pinacol ester | DTXSID70375252 | EN300-155805 | 4,4,5,5-TETRAMETHYL-2- | 3-TOLYLBORONIC ACID, HEXYLENE GLYCOL CYCLIC ESTER | SCHEMBL3429762 | T3219 | 4,4,5,5-tetramethyl-2-(m-tolyl)-1,3,2-dioxaborolane | AS-250

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

MFCD05864303 | A817792 | 3-tolylboronic acid pinacol ester | DTXSID70375252 | EN300-155805 | 4, 4, 5, 5-TETRAMETHYL-2- | 3-TOLYLBORONIC ACID, HEXYLENE GLYCOL CYCLIC ESTER | SCHEMBL3429762 | T3219 | 4, 4, 5, 5-tetramethyl-2-(m-tolyl)-1, 3, 2-dioxaborolane | AS-250

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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: 504761577
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761577
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C
• IUPAC Name: 4,4,5,5-tetramethyl-2-(3-methylphenyl)-1,3,2-dioxaborolane
• InChIKey: XDKYCZBGHPGKEP-UHFFFAOYSA-N
• INCHI: 1S/C13H19BO2/c1-10-7-6-8-11(9-10)14-15-12(2,3)13(4,5)16-14/h6-9H,1-5H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C
• PubChem CID: 2760598
• Peso molecular: 218.1

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Toluenes
• Alternative Parents: Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Toluene - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organoboron compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
• 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

• Solubilidad: Soluble in Methanol
• Punto de inflamación (°C): 140 °C
• Punto de fusión (°C): 36 °C
• Peso molecular: 218.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 218.148 Da
• Monoisotopic Mass: 218.148 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 247.000
• 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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