1,3-Bis(trifluoromethyl)-5-bromobenzene - ≥97% , CAS No.328-70-1

CAS: 328-70-1 Cat. No.: B113669 Peso molecular: 293 Beilstein Registry Number: 2123669 Número EC: 206-334-5

GRADE & PURITY ≥97%

Synonyms

EN300-210281 | 1,3-Bis(trifluoromethyl)-5-bromobenzene | PB11577 | 3,5-B is(trifluoromethyl)bromobenzene | AKOS005257715 | 3,5-bis(trifluoromethy)bromobenzene | NSC88284 | NSC-88284 | 3,5-bis(trifluoromethyl)bromo benzene | AM61477 | 3,5-di(trifluoromethy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

EN300-210281 | 1, 3-Bis(trifluoromethyl)-5-bromobenzene | PB11577 | 3, 5-B is(trifluoromethyl)bromobenzene | AKOS005257715 | 3, 5-bis(trifluoromethy)bromobenzene | NSC88284 | NSC-88284 | 3, 5-bis(trifluoromethyl)bromo benzene | AM61477 | 3, 5-di(trifluoromethy

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488183960
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183960
• Sonrisas canónicas: C1=C(C=C(C=C1C(F)(F)F)Br)C(F)(F)F
• IUPAC Name: 1-bromo-3,5-bis(trifluoromethyl)benzene
• InChIKey: CSVCVIHEBDJTCJ-UHFFFAOYSA-N
• INCHI: 1S/C8H3BrF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H
• Isómeros SMILES: C1=C(C=C(C=C1C(F)(F)F)Br)C(F)(F)F
• WGK Alemania: 3
• Peso molecular: 293
• Beilstein: 2123669
• Reaxy-Rn: 2123669
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2123669&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Bromobenzenes Aryl bromides Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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: Immiscible with water.
• Índice de refracción: 1.426-1.428
• Punto de inflamación (°F): 233.6 °F
• Punto de inflamación (°C): 112 °C
• Punto de ebullición (°C): 154°C
• Punto de fusión (°C): -16°C
• Peso molecular: 293.000 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 291.932 Da
• Monoisotopic Mass: 291.932 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 198.000
• 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