2,4-Bis(trifluoromethyl)benzyl bromide - ≥95% , CAS No.140690-56-8

CAS: 140690-56-8 Cat. No.: B167196 Peso molecular: 307.03 Número EC: 628-148-7

GRADE & PURITY ≥95%

Synonyms

2,4-Bis(trifluoromethyl)benzyl bromide|140690-56-8|1-(Bromomethyl)-2,4-bis(trifluoromethyl)benzene|BENZENE, 1-(BROMOMETHYL)-2,4-BIS(TRIFLUOROMETHYL)-|MFCD00010306|SCHEMBL627838|DTXSID90333839|CK1012|2,4-bis-trifluoromethyl-benzylbromide|AKOS015852756|2,4-

Storage

Room temperature

Shipped In

Normal

Descripción general

Application：

2,4-Bis(trifluoromethyl)benzyl bromide may be used in chemical synthesis studies.

Specifications

Sinónimos

2, 4-Bis(trifluoromethyl)benzyl bromide | 140690-56-8 | 1-(Bromomethyl)-2, 4-bis(trifluoromethyl)benzene | BENZENE, 1-(BROMOMETHYL)-2, 4-BIS(TRIFLUOROMETHYL)- | MFCD00010306 | SCHEMBL627838 | DTXSID90333839 | CK1012 | 2, 4-bis-trifluoromethyl-benzylbromide | AKOS015852756 | 2, 4-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)CBr
• IUPAC Name: 1-(bromomethyl)-2,4-bis(trifluoromethyl)benzene
• InChIKey: SWFFFUJOWAJJCH-UHFFFAOYSA-N
• INCHI: 1S/C9H5BrF6/c10-4-5-1-2-6(8(11,12)13)3-7(5)9(14,15)16/h1-3H,4H2
• Isómeros SMILES: C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)CBr
• WGK Alemania: 3
• Peso molecular: 307.03
• Reaxy-Rn: 7995492
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7995492&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: Benzyl bromides Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Benzyl halide - Benzyl bromide - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alkyl bromide - 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

• Índice de refracción: 1.451 (lit.)
• Punto de inflamación (°F): 129.2 °F
• Punto de inflamación (°C): 54 °C
• Punto de ebullición (°C): 112°C/0.2mmHg
• Peso molecular: 307.030 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 305.948 Da
• Monoisotopic Mass: 305.948 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 233.000
• 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