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

CAS: 823-78-9 Cat. No.: B135903 Formula: C₇H₆Br₂ Peso molecolare: 249.93 Beilstein Registry Number: 5(4)836 Numero 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

Panoramica

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

Sinonimi

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-

Specifiche e purezza

≥95%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%(GC)

Nomi e identificatori

• Pubchem Sid: 504754471
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754471
• Sorrisi canonici: 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
• Isomeri SMILES: C1=CC(=CC(=C1)Br)CBr
• WGK Germania: 3
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Sensibilità: Moisture sensitive
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 113 °C
• Punto di ebollizione (°C): 135 °C/18 mmHg
• Punto di fusione (°C): 42 °C
• Peso molecolare: 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