3-Bromobenzyl bromide - ≥95%(GC) , CAS No.823-78-9

CAS: 823-78-9 Cat. No.: B135903 Fórmula: C₇H₆Br₂ Peso molecular: 249.93 Beilstein Registry Number: 5(4)836 Número EC: 212-519-1

GRADE & PURITY ≥95%(GC)

Synonyms

EINECS 212-519-1 | STL185586 | BCP27924 | EN300-21107 | MFCD00000176 | 1-Bromo-3-(bromomethyl)benzene | 3-bromobenzylbromide | 3-bromo-benzylbromide | alpha,3-Dibromotoluene | AM20041204 | 3-Bromobenzyl bromide, 99% | .alpha.,m-Dibromotoluene | 1-bromo-3-

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

3-Bromobenzyl bromide undergoes reduction with diethylzinc in the presence of Pd(PPh3)4 to yield corresponding hydrocarbon.
Usually used in the synthesis of 1,7-di(3-bromobenzyl)cyclen,substituted 8-arylquinoline, phosphodiesterase 4 (PDE4) inhibitors.

Specifications

Sinónimos

EINECS 212-519-1 | STL185586 | BCP27924 | EN300-21107 | MFCD00000176 | 1-Bromo-3-(bromomethyl)benzene | 3-bromobenzylbromide | 3-bromo-benzylbromide | alpha,3-Dibromotoluene | AM20041204 | 3-Bromobenzyl bromide, 99% | .alpha.,m-Dibromotoluene | 1-bromo-3-

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%(GC)

Nombres e identificadores

Pubchem Sid

504754471

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754471

Sonrisas canónicas

C1=CC(=CC(=C1)Br)CBr

IUPAC Name

1-bromo-3-(bromomethyl)benzene

InChIKey

ZPCJPJQUVRIILS-UHFFFAOYSA-N

INCHI

1S/C7H6Br2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2

Isómeros SMILES

C1=CC(=CC(=C1)Br)CBr

WGK Alemania

3

Peso molecular

249.93

Beilstein

5(4)836

Reaxy-Rn

2078683

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2078683&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: Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl bromide - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - 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): 113 °C
• Punto de ebullición (°C): 135 °C/18 mmHg
• Punto de fusión (°C): 42 °C
• Peso molecular: 249.930 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 249.882 Da
• Monoisotopic Mass: 247.884 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 83.000
• 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