2,3,4-Trifluorobenzyl Bromide - ≥98%(GC) , CAS No.157911-55-2

CAS: 157911-55-2 Cat. No.: T161906 Peso molecular: 225.01 Número EC: 624-279-9 PubChem CID: 2777050

GRADE & PURITY ≥98%(GC)

Synonyms

A3473 | DGSXDQVPGXFOAN-UHFFFAOYSA-N | AKOS015854309 | 2,3,4-Trifluorobenzyl bromide, 97% | BENZENE, 1-(BROMOMETHYL)-2,3,4-TRIFLUORO- | PS-9839 | SCHEMBL489658 | DTXSID60380350 | EN300-2006367 | 1-(Bromomethyl)-2,3,4-trifluorobenzene | 2,3,4-Trifluorobenzy

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

2,3,4-Trifluorobenzyl bromide [1-(Bromomethyl)-2,3,4-trifluorobenzene] may be used to synthesize phase-transfer catalysts (PTCs).

Specifications

Sinónimos

A3473 | DGSXDQVPGXFOAN-UHFFFAOYSA-N | AKOS015854309 | 2, 3, 4-Trifluorobenzyl bromide, 97% | BENZENE, 1-(BROMOMETHYL)-2, 3, 4-TRIFLUORO- | PS-9839 | SCHEMBL489658 | DTXSID60380350 | EN300-2006367 | 1-(Bromomethyl)-2, 3, 4-trifluorobenzene | 2, 3, 4-Trifluorobenzy

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504761959
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761959
• Sonrisas canónicas: C1=CC(=C(C(=C1CBr)F)F)F
• IUPAC Name: 1-(bromomethyl)-2,3,4-trifluorobenzene
• InChIKey: DGSXDQVPGXFOAN-UHFFFAOYSA-N
• INCHI: 1S/C7H4BrF3/c8-3-4-1-2-5(9)7(11)6(4)10/h1-2H,3H2
• Isómeros SMILES: C1=CC(=C(C(=C1CBr)F)F)F
• WGK Alemania: 3
• PubChem CID: 2777050
• Peso molecular: 225.01
• Reaxy-Rn: 8762822

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl bromides
• Alternative Parents: Fluorobenzenes Aryl fluorides Organofluorides Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl bromide - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl group.
• 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

• Sensibilidad: Air sensitive
• Índice de refracción: n20/D 1.5070
• Punto de inflamación (°F): 194 °F
• Punto de inflamación (°C): 91°C
• Peso molecular: 225.010 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 223.945 Da
• Monoisotopic Mass: 223.945 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 131.000
• 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