2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-dimethylfluorene - ≥98%(HPLC) , CAS No.325129-69-9

CAS: 325129-69-9 Cat. No.: B152093 Molecular Weight: 446.2 EC Number: 805-553-9

GRADE & PURITY ≥98%(HPLC)

Synonyms

AKOS015896320 | 2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | 1,3,2-DIOXABOROLANE, 2,2'-(9,9-DIMETHYL-9H-FLUORENE-2,7-DIYL)BIS[4,4,5,5-TETRAMETHYL] | 2-[9,9-DIMETHYL-7-(4,4,5,5-TETRA

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS015896320 | 2-[9, 9-dimethyl-7-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)fluoren-2-yl]-4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolane | 1, 3, 2-DIOXABOROLANE, 2, 2'-(9, 9-DIMETHYL-9H-FLUORENE-2, 7-DIYL)BIS[4, 4, 5, 5-TETRAMETHYL] | 2-[9, 9-DIMETHYL-7-(4, 4, 5, 5-TETRA

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504768927
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768927
• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(C3(C)C)C=C(C=C4)B5OC(C(O5)(C)C)(C)C
• IUPAC Name: 2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• InChIKey: RVFLMSKITNJVRB-UHFFFAOYSA-N
• INCHI: 1S/C27H36B2O4/c1-23(2)21-15-17(28-30-24(3,4)25(5,6)31-28)11-13-19(21)20-14-12-18(16-22(20)23)29-32-26(7,8)27(9,10)33-29/h11-16H,1-10H3
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(C3(C)C)C=C(C=C4)B5OC(C(O5)(C)C)(C)C
• Molecular Weight: 446.2
• Reaxy-Rn: 9957074
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9957074&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluorene - 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
• Description: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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: 446.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 446.28 Da
• Monoisotopic Mass: 446.28 Da
• Topological Polar Surface Area: 36.900 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 682.000
• 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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