5-Bromo-1,2,3-trifluorobenzene - ≥99% , CAS No.138526-69-9

CAS: 138526-69-9 Cat. No.: B120672 Peso molecular: 210.98 Beilstein Registry Number: 7249191 Número EC: 418-480-9

GRADE & PURITY ≥99%

Synonyms

1-Bromo-3,4,5-trifluorobenzene | 1,2,3-trifluoro-5-bromobenzene | 3,4,5-Trifluoro Bromo Benzene | 5-Bromo-1,2,3-trifluorobenzene # | 1-Bromo-3,4,5 trifluorobenzene | 5-Bromo-1,2,3-trifluorobenzene, purum, >=97.0% (GC) | 1-bromo-3,4,5-triflurobenzene | EN3

Storage

Room temperature,Cool

Shipped In

Normal

Descripción general

5-Bromo-1,2,3-trifluorobenzene was used in flow preparation of 4,4,5,5-tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane.

Specifications

Sinónimos

1-Bromo-3, 4, 5-trifluorobenzene | 1, 2, 3-trifluoro-5-bromobenzene | 3, 4, 5-Trifluoro Bromo Benzene | 5-Bromo-1, 2, 3-trifluorobenzene # | 1-Bromo-3, 4, 5 trifluorobenzene | 5-Bromo-1, 2, 3-trifluorobenzene, purum, >=97.0% (GC) | 1-bromo-3, 4, 5-triflurobenzene | EN3

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature, Cool

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488190724
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190724
• Sonrisas canónicas: C1=C(C=C(C(=C1F)F)F)Br
• IUPAC Name: 5-bromo-1,2,3-trifluorobenzene
• InChIKey: HKJCELUUIFFSIN-UHFFFAOYSA-N
• INCHI: 1S/C6H2BrF3/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
• Isómeros SMILES: C1=C(C=C(C(=C1F)F)F)Br
• WGK Alemania: 3
• Peso molecular: 210.98
• Beilstein: 7249191
• Reaxy-Rn: 7249191
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7249191&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: Fluorobenzenes
• Alternative Parents: Bromobenzenes Aryl fluorides Aryl bromides Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Bromobenzene - Aryl halide - Aryl fluoride - Aryl bromide - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene 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

• Índice de refracción: 1.482
• Punto de inflamación (°F): 113 °F
• Punto de inflamación (°C): 45℃
• Punto de ebullición (°C): 140°C
• Punto de fusión (°C): <-20°C
• Peso molecular: 210.980 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 209.929 Da
• Monoisotopic Mass: 209.929 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• 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