9,10-Diphenylanthracene-2-boronic Acid (contains varying amounts of Anhydride) - ≥97% , CAS No.597553-98-5

CAS: 597553-98-5 Cat. No.: D290680 Molecular Weight: 374.25 EC Number: 811-012-8

GRADE & PURITY ≥97%

Synonyms

SB66882 | C16050 | 9,10-diphenylanthracene-2-boronic acid | 9,10-diphenylanthracene-2-yl boronic acid | B-(9,10-DIPHENYL-2-ANTHRACENYL)BORONIC ACID | DTXSID50631121 | MVUDLJXJTYSUGF-UHFFFAOYSA-N | 9,10-Diphenylanthracene-2-boronic acid (contains varying a

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Specifications

Synonyms

SB66882 | C16050 | 9, 10-diphenylanthracene-2-boronic acid | 9, 10-diphenylanthracene-2-yl boronic acid | B-(9, 10-DIPHENYL-2-ANTHRACENYL)BORONIC ACID | DTXSID50631121 | MVUDLJXJTYSUGF-UHFFFAOYSA-N | 9, 10-Diphenylanthracene-2-boronic acid (contains varying a

Specifications & Purity

≥97%

Storage

Room temperature, Desiccated, Cool

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504769383
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769383
• Canonical Smiles: B(C1=CC2=C(C3=CC=CC=C3C(=C2C=C1)C4=CC=CC=C4)C5=CC=CC=C5)(O)O
• IUPAC Name: (9,10-diphenylanthracen-2-yl)boronic acid
• InChIKey: MVUDLJXJTYSUGF-UHFFFAOYSA-N
• INCHI: 1S/C26H19BO2/c28-27(29)20-15-16-23-24(17-20)26(19-11-5-2-6-12-19)22-14-8-7-13-21(22)25(23)18-9-3-1-4-10-18/h1-17,28-29H
• Isomeric SMILES: B(C1=CC2=C(C3=CC=CC=C3C(=C2C=C1)C4=CC=CC=C4)C5=CC=CC=C5)(O)O
• Molecular Weight: 374.25
• Reaxy-Rn: 14568188
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14568188&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lignans, neolignans and related compounds
    • Class Arylnaphthalene lignans

• Kingdom: Organic compounds
• Superclass: Lignans, neolignans and related compounds
• Class: Arylnaphthalene lignans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Arylnaphthalene lignans
• Alternative Parents: Anthracenes Benzene and substituted derivatives Boronic acids Organic metalloid salts Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Arylnaphthalene lignan skeleton - Anthracene - Benzenoid - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organoboron compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as arylnaphthalene lignans. These are lignans containing the arylnaphthalene skeleton, especially 9-(2H-1,3-benzodioxol-5-yl)-1H,3H-naphtho[2,3-c]furan-1-one or a derivative thereof. Arylnaphthalene lignans occur in nature and exhibit diverse biological activities.
• 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: 374.200 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 374.148 Da
• Monoisotopic Mass: 374.148 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 525.000
• 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