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 CE: 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

Visão geral

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-

Especificações e pureza

≥95%(GC)

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%(GC)

Nomes e identificadores

Pubchem Sid

504754471

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

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

WGK Alemanha

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
    • Classe Benzene and substituted derivatives
      • Subclass Benzyl halides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Methanol
• Sensibilidade: Moisture sensitive
• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 113 °C
• Ponto de ebulição (°C): 135 °C/18 mmHg
• Ponto de fusão (°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