4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran - ≥98% , CAS No.912824-85-2

CAS: 912824-85-2 Cat. No.: T405055 Peso molecular: 294.16 Número EC: 172-091-6 PubChem CID: 60146103

GRADE & PURITY ≥98%

Synonyms

MFCD18910632 | Dibenzo[b,d]furan-4-ylboronic acid pinacol ester | DS-6732 | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzo[b,d]furan | SCHEMBL5019780 | 4,4,5,5-tetramethyl-2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-6-yl}-1,3,2-

Storage

Room temperature

Specifications

Sinónimos

MFCD18910632 | Dibenzo[b, d]furan-4-ylboronic acid pinacol ester | DS-6732 | 4-(4, 4, 5, 5-Tetramethyl-1, 3, 2-dioxaborolan-2-yl)dibenzo[b, d]furan | SCHEMBL5019780 | 4, 4, 5, 5-tetramethyl-2-{8-oxatricyclo[7.4.0.0^{2, 7}]trideca-1(9), 2, 4, 6, 10, 12-hexaen-6-yl}-1, 3, 2-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488202035
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202035
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)C4=CC=CC=C4O3
• IUPAC Name: 2-dibenzofuran-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• InChIKey: AVWYETCDUMCCNK-UHFFFAOYSA-N
• INCHI: 1S/C18H19BO3/c1-17(2)18(3,4)22-19(21-17)14-10-7-9-13-12-8-5-6-11-15(12)20-16(13)14/h5-11H,1-4H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)C4=CC=CC=C4O3
• PubChem CID: 60146103
• Peso molecular: 294.16
• Reaxy-Rn: 21949279

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzofurans
      • Subclass Dibenzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzofurans
• Subclass: Dibenzofurans
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzofurans
• Alternative Parents: Benzenoids Heteroaromatic compounds Furans Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzofuran - Benzenoid - Heteroaromatic compound - Furan - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organoboron compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dibenzofurans. These are compounds containing a dibenzofuran moiety, which consists of two benzene rings fused to a central furan ring.
• 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): 109 °C
• Peso molecular: 294.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 294.143 Da
• Monoisotopic Mass: 294.143 Da
• Topological Polar Surface Area: 31.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 420.000
• 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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