4-Dibenzothienylboronic acid(contains varying amounts of Anhydride) - ≥95% , CAS No.108847-20-7

CAS: 108847-20-7 Cat. No.: D101084 Peso molecular: 228.07 Número EC: 681-232-5

GRADE & PURITY ≥95%

Synonyms

AB08678 | NCGC00249566-01 | NCGC00249566-02 | Boronic acid, 4-dibenzothienyl- | EN300-1072868 | FT-0624628 | AM20020191 | AB01333068-02 | Dibenzothiophen-4-ylboronic Acid | 4-Dibenzothiopheneboronic acid | BBL104242 | dibenzo[b,d]thiophen-4-ylboronic acid

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AB08678 | NCGC00249566-01 | NCGC00249566-02 | Boronic acid, 4-dibenzothienyl- | EN300-1072868 | FT-0624628 | AM20020191 | AB01333068-02 | Dibenzothiophen-4-ylboronic Acid | 4-Dibenzothiopheneboronic acid | BBL104242 | dibenzo[b, d]thiophen-4-ylboronic acid

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504761108
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761108
• Sonrisas canónicas: B(C1=C2C(=CC=C1)C3=CC=CC=C3S2)(O)O
• IUPAC Name: dibenzothiophen-4-ylboronic acid
• InChIKey: GOXNHPQCCUVWRO-UHFFFAOYSA-N
• INCHI: 1S/C12H9BO2S/c14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-7,14-15H
• Isómeros SMILES: B(C1=C2C(=CC=C1)C3=CC=CC=C3S2)(O)O
• WGK Alemania: 3
• Peso molecular: 228.07
• Reaxy-Rn: 197863
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=197863&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzothiophenes
      • Subclass Dibenzothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzothiophenes
• Subclass: Dibenzothiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzothiophenes
• Alternative Parents: 1-benzothiophenes Benzenoids Thiophenes Heteroaromatic compounds Boronic acids Organic metalloid salts Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzothiophene - 1-benzothiophene - Benzenoid - Heteroaromatic compound - Thiophene - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organoboron compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dibenzothiophenes. These are organic heterocyclic compounds with a structure containing a dibenzothiophene moiety, made up of two benzene rings fused to a central thiophene 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 327-330°C
• Peso molecular: 228.080 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 228.042 Da
• Monoisotopic Mass: 228.042 Da
• Topological Polar Surface Area: 68.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 261.000
• 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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