2-Iododibenzofuran - ≥98% , CAS No.5408-56-0

CAS: 5408-56-0 Cat. No.: I157474 Peso molecular: 294.09 Número EC: 659-576-2

GRADE & PURITY ≥98%

Synonyms

AKOS003617579 | C75539 | DTXSID90278973 | SB67101 | 2-iododibenzo[b,d]furan | SCHEMBL2549311 | MFCD00092649 | 2-Iododibenzofuran | 2-iodo-dibenzofuran | DS-11269 | MNKSJEJNCQWHFE-UHFFFAOYSA-N | FT-0756390 | Dibenzofuran, 2-iodo- | I0968 | NSC10861 | NSC-1

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS003617579 | C75539 | DTXSID90278973 | SB67101 | 2-iododibenzo[b, d]furan | SCHEMBL2549311 | MFCD00092649 | 2-Iododibenzofuran | 2-iodo-dibenzofuran | DS-11269 | MNKSJEJNCQWHFE-UHFFFAOYSA-N | FT-0756390 | Dibenzofuran, 2-iodo- | I0968 | NSC10861 | NSC-1

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504757930
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757930
• Sonrisas canónicas: C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)I
• IUPAC Name: 2-iododibenzofuran
• InChIKey: MNKSJEJNCQWHFE-UHFFFAOYSA-N
• INCHI: 1S/C12H7IO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H
• Isómeros SMILES: C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)I
• Peso molecular: 294.09
• Reaxy-Rn: 142200
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=142200&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 iodides Heteroaromatic compounds Furans Oxacyclic compounds Organooxygen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzofuran - Benzenoid - Aryl iodide - Aryl halide - Heteroaromatic compound - Furan - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organoiodide - 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

• Sensibilidad: Light sensitive
• Punto de fusión (°C): 112 °C
• Peso molecular: 294.090 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 293.954 Da
• Monoisotopic Mass: 293.954 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