4-(Dibenzofuranyl)boronic acid (contains varying amounts of Anhydride) - ≥98% , CAS No.100124-06-9

CAS: 100124-06-9 Cat. No.: D120115 Molecular Weight: 212.01 Beilstein Registry Number: 1645426 EC Number: 672-293-9

GRADE & PURITY ≥98%

Synonyms

BBL104403 | Boronic acid, B-4-dibenzofuranyl-;4-Dibenzofuranboronic acid | dibenzofuran-4-ylboronic acid | dibenzofuran-4-yl-boronic acid | PS-9590 | FT-0624635 | Boronic acid, B-4-dibenzofuranyl- | RB2049 | D4567 | STK503708 | 4-(Dibenzofuranyl)boronic a

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

BBL104403 | Boronic acid, B-4-dibenzofuranyl-;4-Dibenzofuranboronic acid | dibenzofuran-4-ylboronic acid | dibenzofuran-4-yl-boronic acid | PS-9590 | FT-0624635 | Boronic acid, B-4-dibenzofuranyl- | RB2049 | D4567 | STK503708 | 4-(Dibenzofuranyl)boronic a

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488192540
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192540
• Canonical Smiles: B(C1=C2C(=CC=C1)C3=CC=CC=C3O2)(O)O
• IUPAC Name: dibenzofuran-4-ylboronic acid
• InChIKey: ZXHUJRZYLRVVNP-UHFFFAOYSA-N
• INCHI: 1S/C12H9BO3/c14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-7,14-15H
• Isomeric SMILES: B(C1=C2C(=CC=C1)C3=CC=CC=C3O2)(O)O
• WGK Germany: 3
• Molecular Weight: 212.01
• Beilstein: 1645426
• Reaxy-Rn: 1645426
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1645426&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzofurans
      • Subclass Dibenzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzofurans
• Subclass: Dibenzofurans
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzofurans
• Alternative Parents: Benzenoids Heteroaromatic compounds Furans Boronic acids Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzofuran - Benzenoid - Heteroaromatic compound - Furan - Boronic acid - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organoboron compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dibenzofurans. These are compounds containing a dibenzofuran moiety, which consists of two benzene rings fused to a central furan ring.
• 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

• Melt Point(°C): 286-291°C
• Molecular Weight: 212.010 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 212.064 Da
• Monoisotopic Mass: 212.064 Da
• Topological Polar Surface Area: 53.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 259.000
• 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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