tetra(4-Hydroxyboryphenyl)methane - ≥97% , CAS No.153035-55-3

CAS: 153035-55-3 Cat. No.: I167502 Summenformel: C₂₅H₂₄B₄O₈ Molekulargewicht: 495.7 EG-Nummer: 809-228-2

GRADE & PURITY ≥97%

Synonyms

SCHEMBL214782 | [4-[tris(4-boronophenyl)methyl]phenyl]boronic acid | A908032 | YSZC262 | (METHANETETRAYLTETRAKIS(BENZENE-4,1-DIYL))TETRABORONIC ACID | DTXSID20673558 | BS-50936 | tetra(4-dihydroxyborylphenyl)methane | [Methanetetrayltetrakis(benzene-4,1-d

Storage

Lagerung bei 2-8°C, Argon geladen

Shipped In

Nasses Eis

Specifications

Synonyme

SCHEMBL214782 | [4-[tris(4-boronophenyl)methyl]phenyl]boronic acid | A908032 | YSZC262 | (METHANETETRAYLTETRAKIS(BENZENE-4,1-DIYL))TETRABORONIC ACID | DTXSID20673558 | BS-50936 | tetra(4-dihydroxyborylphenyl)methane | [Methanetetrayltetrakis(benzene-4,1-d

Spezifikationen & Reinheit

≥97%

Storage

Lagerung bei 2-8°C, Argon geladen

Verschickt in

Nasses Eis

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504770711
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770711
• Kanonisches Lächeln: B(C1=CC=C(C=C1)C(C2=CC=C(C=C2)B(O)O)(C3=CC=C(C=C3)B(O)O)C4=CC=C(C=C4)B(O)O)(O)O
• IUPAC Name: [4-[tris(4-boronophenyl)methyl]phenyl]boronic acid
• InChIKey: HUKKNLZHFLXUKJ-UHFFFAOYSA-N
• INCHI: 1S/C25H24B4O8/c30-26(31)21-9-1-17(2-10-21)25(18-3-11-22(12-4-18)27(32)33,19-5-13-23(14-6-19)28(34)35)20-7-15-24(16-8-20)29(36)37/h1-16,30-37H
• Isomere SMILES: B(C1=CC=C(C=C1)C(C2=CC=C(C=C2)B(O)O)(C3=CC=C(C=C3)B(O)O)C4=CC=C(C=C4)B(O)O)(O)O
• Molekulargewicht: 495.7
• Reaxy-Rn: 9307313
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9307313&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Boronic acids Organic metalloid salts Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic metalloid moeity - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 495.700 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 496.184 Da
• Monoisotopic Mass: 496.184 Da
• Topological Polar Surface Area: 162.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 565.000
• 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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