5-Bromo-1,3-difluoro-2-iodobenzene - ≥97%(GC) , CAS No.160976-02-3

CAS: 160976-02-3 Cat. No.: B133240 Peso molecular: 318.89 Número EC: 678-230-1

GRADE & PURITY ≥97%(GC)

Synonyms

A810211 | B3058 | 4-bromo-2,6-difluoro-1-iodobenzene | AKOS005254968 | FT-0746828 | Benzene, 5-bromo-1,3-difluoro-2-iodo- | STL554368 | AM61337 | DTXSID70382224 | 2,6-Difluoro-4-Bromo Iodobenzene | DS-1698 | 1-Bromo-3,5-difluoro-4-iodobenzene | MFCD018611

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

A810211 | B3058 | 4-bromo-2, 6-difluoro-1-iodobenzene | AKOS005254968 | FT-0746828 | Benzene, 5-bromo-1, 3-difluoro-2-iodo- | STL554368 | AM61337 | DTXSID70382224 | 2, 6-Difluoro-4-Bromo Iodobenzene | DS-1698 | 1-Bromo-3, 5-difluoro-4-iodobenzene | MFCD018611

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 488193879
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193879
• Sonrisas canónicas: C1=C(C=C(C(=C1F)I)F)Br
• IUPAC Name: 5-bromo-1,3-difluoro-2-iodobenzene
• InChIKey: NLWAKVGODLJALJ-UHFFFAOYSA-N
• INCHI: 1S/C6H2BrF2I/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
• Isómeros SMILES: C1=C(C=C(C(=C1F)I)F)Br
• Peso molecular: 318.89
• Reaxy-Rn: 9551420
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9551420&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Iodobenzenes
• Alternative Parents: Fluorobenzenes Bromobenzenes Aryl iodides Aryl fluorides Aryl bromides Organoiodides Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Iodobenzene - Fluorobenzene - Bromobenzene - Aryl iodide - Aryl halide - Aryl fluoride - Aryl bromide - Hydrocarbon derivative - Organoiodide - Organofluoride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.
• 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

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 41.0 to 45.0 °C
• Peso molecular: 318.880 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 317.835 Da
• Monoisotopic Mass: 317.835 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 110.000
• 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