Triphenylen-2-ylboronic acid(contains varying amounts of Anhydride) - ≥99% , CAS No.654664-63-8

CAS: 654664-63-8 Cat. No.: T396141 Molecular Weight: 272.11 PubChem CID: 59805119

GRADE & PURITY ≥99%

Synonyms

MFCD16660186 | OL10089 | triphenylene-2-ylboronic acid | F16257 | Triphenylen-2-ylboronicacid | DTXSID80733021 | Triphenylene-2-boronic acid | 2-triphenylenylBoronic acid | SCHEMBL854323 | B-2-Triphenylenylboronic acid | SB66645 | AKOS022171882 | AM9641 |

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

Synonyms

MFCD16660186 | OL10089 | triphenylene-2-ylboronic acid | F16257 | Triphenylen-2-ylboronicacid | DTXSID80733021 | Triphenylene-2-boronic acid | 2-triphenylenylBoronic acid | SCHEMBL854323 | B-2-Triphenylenylboronic acid | SB66645 | AKOS022171882 | AM9641 |

Specifications & Purity

≥99%

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504771772
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771772
• Canonical Smiles: B(C1=CC2=C(C=C1)C3=CC=CC=C3C4=CC=CC=C42)(O)O
• IUPAC Name: triphenylen-2-ylboronic acid
• InChIKey: PXFBSZZEOWJJNL-UHFFFAOYSA-N
• INCHI: 1S/C18H13BO2/c20-19(21)12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-11,20-21H
• Isomeric SMILES: B(C1=CC2=C(C=C1)C3=CC=CC=C3C4=CC=CC=C42)(O)O
• PubChem CID: 59805119
• Molecular Weight: 272.11

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenanthrenes and derivatives
• Subclass: Triphenylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenylenes
• Alternative Parents: Naphthalenes Boronic acids Organic metalloid salts Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Triphenylene - Naphthalene - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic metalloid moeity - Aromatic homopolycyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 272.100 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 272.101 Da
• Monoisotopic Mass: 272.101 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 372.000
• 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

References

1. Xiaoqing Song, Shiyue Zhang, Qian He, Wangjun Liu, Hongxin Gao, Zhonglin Luo, Biaobing Wang.  (2026)  Constructing dual-light-excited epoxy-based afterglow material with high-brightness and long-duration suitable for application in harsh environments.  POLYMER,      [PMID:] [10.1016/j.polymer.2026.129613]