GRADE & PURITY ≥96%

Synonyms

5-Bromo-4-fluorobenzo[d][1,3]dioxole|1226808-75-8|5-bromo-4-fluoro-1,3-benzodioxole|1,3-Benzodioxole, 5-bromo-4-fluoro-|5-Bromo-4-fluoro-2H-1,3-benzodioxole|DTXSID50681489|5-bromo-4-fluoro-1,3-dioxaindane|MFCD16295053|AKOS015835141|DS-17867|C71857|EN300-3

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

5-Bromo-4-fluorobenzo[d][1, 3]dioxole | 1226808-75-8 | 5-bromo-4-fluoro-1, 3-benzodioxole | 1, 3-Benzodioxole, 5-bromo-4-fluoro- | 5-Bromo-4-fluoro-2H-1, 3-benzodioxole | DTXSID50681489 | 5-bromo-4-fluoro-1, 3-dioxaindane | MFCD16295053 | AKOS015835141 | DS-17867 | C71857 | EN300-3

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 488201534
• Sonrisas canónicas: C1OC2=C(O1)C(=C(C=C2)Br)F
• IUPAC Name: 5-bromo-4-fluoro-1,3-benzodioxole
• InChIKey: FMEWVPPYMHXEGT-UHFFFAOYSA-N
• INCHI: 1S/C7H4BrFO2/c8-4-1-2-5-7(6(4)9)11-3-10-5/h1-2H,3H2
• Isómeros SMILES: C1OC2=C(O1)C(=C(C=C2)Br)F
• PubChem CID: 53216233
• Peso molecular: 219

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzodioxoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzodioxoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodioxoles
• Alternative Parents: Benzenoids Aryl fluorides Aryl bromides Oxacyclic compounds Acetals Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodioxole - Benzenoid - Aryl halide - Aryl fluoride - Aryl bromide - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
• 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: 219.010 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 217.938 Da
• Monoisotopic Mass: 217.938 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 155.000
• 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