3-Furanboronic acid(contains varying amounts of Anhydride) - ≥95% , CAS No.55552-70-0

CAS: 55552-70-0 Cat. No.: F123115 Molecular Weight: 111.89 Beilstein Registry Number: 1635653 EC Number: 672-302-6

GRADE & PURITY ≥95%

Synonyms

A8031 | furan -3-boronic acid | 3-Furanboronic acid | 3-Furanylboronic acid, >=95.0% | furan-3-ylboronic acid | furan-3-yl-boronic acid | 3-furylboronic Acid | 3-furanyl boronic acid | AM20100363 | 3-Furanylboronic Acid | EN300-87221 | AKOS009158919 | 3-f

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

A8031 | furan -3-boronic acid | 3-Furanboronic acid | 3-Furanylboronic acid, >=95.0% | furan-3-ylboronic acid | furan-3-yl-boronic acid | 3-furylboronic Acid | 3-furanyl boronic acid | AM20100363 | 3-Furanylboronic Acid | EN300-87221 | AKOS009158919 | 3-f

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488192555
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192555
• Canonical Smiles: B(C1=COC=C1)(O)O
• IUPAC Name: furan-3-ylboronic acid
• InChIKey: CYEFKCRAAGLNHW-UHFFFAOYSA-N
• INCHI: 1S/C4H5BO3/c6-5(7)4-1-2-8-3-4/h1-3,6-7H
• Isomeric SMILES: B(C1=COC=C1)(O)O
• WGK Germany: 3
• Molecular Weight: 111.89
• Beilstein: 1635653
• Reaxy-Rn: 1635653
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1635653&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Furans Boronic acids Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Furan - Boronic acid - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organoboron compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• 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

• Solubility: Soluble in Methanol
• Sensitivity: Heat sensitive
• Melt Point(°C): 139-144°C
• Molecular Weight: 111.890 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 112.033 Da
• Monoisotopic Mass: 112.033 Da
• Topological Polar Surface Area: 53.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 75.700
• 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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