4,4,5,5-Tetramethyl-2-[3-(triphenylen-2-yl)phenyl]-1,3,2-dioxaborolane - ≥98% , CAS No.1115639-92-3

CAS: 1115639-92-3 Cat. No.: T162067 Peso molecular: 430.35 Número EC: 811-134-1 PubChem CID: 58489416

GRADE & PURITY ≥98%

Synonyms

4,4,5,5-tetramethyl-2-[3-(2-triphenylenyl)phenyl]-1,3,2-Dioxaborolane | AKOS024463352 | AS-72631 | OL10119 | 4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane | T3261 | 3-(Triphenylen-2-yl)phenylboronic Acid Pinacol Ester | FT-0760540 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4, 4, 5, 5-tetramethyl-2-[3-(2-triphenylenyl)phenyl]-1, 3, 2-Dioxaborolane | AKOS024463352 | AS-72631 | OL10119 | 4, 4, 5, 5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1, 3, 2-dioxaborolane | T3261 | 3-(Triphenylen-2-yl)phenylboronic Acid Pinacol Ester | FT-0760540 |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488201926
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201926
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3=CC4=C(C=C3)C5=CC=CC=C5C6=CC=CC=C64
• IUPAC Name: 4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane
• InChIKey: NZTBACVVLACPNL-UHFFFAOYSA-N
• INCHI: 1S/C30H27BO2/c1-29(2)30(3,4)33-31(32-29)22-11-9-10-20(18-22)21-16-17-27-25-14-6-5-12-23(25)24-13-7-8-15-26(24)28(27)19-21/h5-19H,1-4H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3=CC4=C(C=C3)C5=CC=CC=C5C6=CC=CC=C64
• PubChem CID: 58489416
• Peso molecular: 430.35
• Reaxy-Rn: 20502265

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenanthrenes and derivatives
      • Subclass Triphenylenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenanthrenes and derivatives
• Subclass: Triphenylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenylenes
• Alternative Parents: Phenylnaphthalenes Benzene and substituted derivatives Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triphenylene - Phenylnaphthalene - Naphthalene - Monocyclic benzene moiety - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triphenylenes. These are compounds containing a triphenylene moiety, which consists of four fused benzene rings forming a 9,10-benzo[l]phenanthrene.
• 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): 177.0-181.0 °C
• Peso molecular: 430.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 430.21 Da
• Monoisotopic Mass: 430.21 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 687.000
• 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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