3-Bromophenethyl bromide - ≥97% , CAS No.40422-70-6

CAS: 40422-70-6 Cat. No.: B170179 Fórmula: C₈H₈Br₂ Peso molecular: 263.96 Número EC: 627-606-3

GRADE & PURITY ≥97%

Synonyms

A873346 | 3-Bromophenethyl bromide | SCHEMBL705920 | 3-Bromophenethyl bromide, 97% | AC-25646 | EN300-675183 | 1-Bromo-3-(2-bromoethyl)benzene | 1-bromo-3-(2-bromo-ethyl)-benzene | 3-(2-bromo-ethyl)-1-bromo-benzene | Benzene, 1-bromo-3-(2-bromoethyl)- | Z

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

A873346 | 3-Bromophenethyl bromide | SCHEMBL705920 | 3-Bromophenethyl bromide, 97% | AC-25646 | EN300-675183 | 1-Bromo-3-(2-bromoethyl)benzene | 1-bromo-3-(2-bromo-ethyl)-benzene | 3-(2-bromo-ethyl)-1-bromo-benzene | Benzene, 1-bromo-3-(2-bromoethyl)- | Z

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC(=C1)Br)CCBr
• IUPAC Name: 1-bromo-3-(2-bromoethyl)benzene
• InChIKey: ZDWCLHJHUMKCQS-UHFFFAOYSA-N
• INCHI: 1S/C8H8Br2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6H,4-5H2
• Isómeros SMILES: C1=CC(=CC(=C1)Br)CCBr
• WGK Alemania: 2
• Peso molecular: 263.96
• Reaxy-Rn: 2079718
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2079718&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 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 bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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

• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110 °C
• Punto de ebullición (°C): 77-78 °C/0.1 mmHg
• Peso molecular: 263.960 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 263.897 Da
• Monoisotopic Mass: 261.899 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 93.300
• 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