3-Bromodibenzofuran - ≥98% , CAS No.26608-06-0

CAS: 26608-06-0 Cat. No.: B152999 Fórmula: C₁₂H₇BrO Peso molecular: 247.09 Número EC: 987-842-0

GRADE & PURITY ≥98%

Synonyms

Dibenzofuran, 3-bromo- | 3-Bromodibenzo[b,d]furan | 3-bromo-dibenzofuran

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Dibenzofuran, 3-bromo- | 3-Bromodibenzo[b,d]furan | 3-bromo-dibenzofuran

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488189351

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189351

Sonrisas canónicas

C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)Br

IUPAC Name

3-bromodibenzofuran

InChIKey

AZFABGHLDGJASW-UHFFFAOYSA-N

INCHI

1S/C12H7BrO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7H

Isómeros SMILES

C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)Br

Peso molecular

247.09

Reaxy-Rn

135847

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=135847&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzofurans
• Subclass: Dibenzofurans
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzofurans
• Alternative Parents: Benzenoids Aryl bromides Heteroaromatic compounds Furans Oxacyclic compounds Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzofuran - Benzenoid - Aryl halide - Aryl bromide - Heteroaromatic compound - Furan - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Punto de fusión (°C): 121.0 to 125.0 °C
• Peso molecular: 247.090 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 245.968 Da
• Monoisotopic Mass: 245.968 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 218.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 26608-06-0, the molecular formula is C12H7BrO, and the molecular weight is 247.09 g/mol. InChIKey AZFABGHLDGJASW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.