4-Chloro-3-(trifluoromethyl)benzyl bromide - ≥97% , CAS No.261763-23-9

CAS: 261763-23-9 Cat. No.: C122808 Peso molecular: 273.48 Número EC: 670-760-1

GRADE & PURITY ≥97%

Synonyms

261763-23-9|4-Chloro-3-(trifluoromethyl)benzyl bromide|4-(bromomethyl)-1-chloro-2-(trifluoromethyl)benzene|3-trifluoromethyl-4-chlorobenzyl bromide|Benzene, 4-(bromomethyl)-1-chloro-2-(trifluoromethyl)-|4-bromomethyl-1-chloro-2-trifluoromethyl-benzene|SCH

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

261763-23-9 | 4-Chloro-3-(trifluoromethyl)benzyl bromide | 4-(bromomethyl)-1-chloro-2-(trifluoromethyl)benzene | 3-trifluoromethyl-4-chlorobenzyl bromide | Benzene, 4-(bromomethyl)-1-chloro-2-(trifluoromethyl)- | 4-bromomethyl-1-chloro-2-trifluoromethyl-benzene | SCH

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504761998
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761998
• Sonrisas canónicas: C1=CC(=C(C=C1CBr)C(F)(F)F)Cl
• IUPAC Name: 4-(bromomethyl)-1-chloro-2-(trifluoromethyl)benzene
• InChIKey: LZLIPLUATRVXSB-UHFFFAOYSA-N
• INCHI: 1S/C8H5BrClF3/c9-4-5-1-2-7(10)6(3-5)8(11,12)13/h1-3H,4H2
• Isómeros SMILES: C1=CC(=C(C=C1CBr)C(F)(F)F)Cl
• Peso molecular: 273.48
• Reaxy-Rn: 10429811
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10429811&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 Chlorobenzenes Aryl chlorides Organofluorides Organochlorides Organobromides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Benzyl halide - Benzyl bromide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Alkyl fluoride - Alkyl bromide - Alkyl halide - Organobromide - Organochloride - 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

• Punto de fusión (°C): 36-40°C
• Peso molecular: 273.480 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 271.922 Da
• Monoisotopic Mass: 271.922 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 171.000
• 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