1-Bromo-2-fluoro-4-iodo-5-nitrobenzene - ≥98% , CAS No.1226808-77-0

CAS: 1226808-77-0 Cat. No.: B180446 Peso molecular: 345.9

GRADE & PURITY ≥98%

Synonyms

AMY17103 | 1226808-77-0 | A891052 | DTXSID90681983 | 1-Bromo-2-fluoro-4-iodo-5-nitrobenzene | 1-Bromo-2-fluoro-4-iodo-5-nitro-benzene | SCHEMBL18112921 | AKOS015834922 | AB91659 | MFCD16295088 | Benzene, 1-bromo-2-fluoro-4-iodo-5-nitro-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AMY17103 | 1226808-77-0 | A891052 | DTXSID90681983 | 1-Bromo-2-fluoro-4-iodo-5-nitrobenzene | 1-Bromo-2-fluoro-4-iodo-5-nitro-benzene | SCHEMBL18112921 | AKOS015834922 | AB91659 | MFCD16295088 | Benzene, 1-bromo-2-fluoro-4-iodo-5-nitro-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488201545
• Sonrisas canónicas: C1=C(C(=CC(=C1Br)F)I)[N+](=O)[O-]
• IUPAC Name: 1-bromo-2-fluoro-4-iodo-5-nitrobenzene
• InChIKey: BNZPOZOFBGRDLL-UHFFFAOYSA-N
• INCHI: 1S/C6H2BrFINO2/c7-3-1-6(10(11)12)5(9)2-4(3)8/h1-2H
• Isómeros SMILES: C1=C(C(=CC(=C1Br)F)I)[N+](=O)[O-]
• Peso molecular: 345.9
• Reaxy-Rn: 30592147
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30592147&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Bromobenzenes Fluorobenzenes Iodobenzenes Aryl bromides Aryl fluorides Aryl iodides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organobromides Organofluorides Organoiodides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Bromobenzene - Fluorobenzene - Halobenzene - Iodobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Aryl iodide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organoiodide - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organopnictogen compound - Organobromide - Organofluoride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• 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

• Peso molecular: 345.890 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 344.83 Da
• Monoisotopic Mass: 344.83 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 189.000
• 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