bromuro de 2,6-difluorobencilo - ≥97% , CAS No.85118-00-9

CAS: 85118-00-9 Cat. No.: D101702 Peso molecular: 207.02 Beilstein Registry Number: 2083943 Número EC: 285-652-6

GRADE & PURITY ≥97%

Synonyms

EN300-157269 | O,O-Methyleen-bis-(4-chloorfenol) | CB8000 | FNK4D2QCW3 | 2-(Bromomethyl)-1,3-difluorobenzene # | FT-0610651 | D2576 | alpha-Bromo-2,6-difluorotoluene | alpha-bromo-2,6-di-fluorotoluene | 2,6-diflourobenzyl bromide | CIW5S16655 | AKOS005259

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

el bromuro de 2,6-difluorobencilo se ha utilizado: como reactivo en la alquilación de la quinazolina-2-tioxo-4-ona en la síntesis de 1,3,5-triazina-2,4,6-triones en la preparación de nuevas clases de inhibidores del virus de la diarrea vírica bovina (como virus sustituto del virus de la hepatitis C)

Specifications

Sinónimos

EN300-157269 | O, O-Methyleen-bis-(4-chloorfenol) | CB8000 | FNK4D2QCW3 | 2-(Bromomethyl)-1, 3-difluorobenzene # | FT-0610651 | D2576 | alpha-Bromo-2, 6-difluorotoluene | alpha-bromo-2, 6-di-fluorotoluene | 2, 6-diflourobenzyl bromide | CIW5S16655 | AKOS005259

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504759354
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759354
• Sonrisas canónicas: C1=CC(=C(C(=C1)F)CBr)F
• IUPAC Name: 2-(bromomethyl)-1,3-difluorobenzene
• InChIKey: LSXJPJGBWSZHTM-UHFFFAOYSA-N
• INCHI: 1S/C7H5BrF2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
• Isómeros SMILES: C1=CC(=C(C(=C1)F)CBr)F
• WGK Alemania: 3
• Número ONU: 3261
• Peso molecular: 207.02
• Beilstein: 2083943
• Reaxy-Rn: 2083943
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2083943&ln=

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

• Solubilidad: Soluble in methanol
• Sensibilidad: Moisture Sensitive
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 110°C
• Punto de fusión (°C): 52-55°C
• Peso molecular: 207.010 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 205.954 Da
• Monoisotopic Mass: 205.954 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 97.800
• 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