α,α′-Dibromo-o-xylene - ≥97% , CAS No.91-13-4

CAS: 91-13-4 Cat. No.: D122697 Fórmula: C₆H₄(CH₂Br)₂ Peso molecular: 263.96 Beilstein Registry Number: 637159 Número EC: 202-042-7

GRADE & PURITY ≥97%

Synonyms

AC-16898 | o-Xylene, .alpha.,.alpha.'-dibromo- | 2-(BROMOMETHYL)BENZYL BROMIDE | alpha,alpha'-dibromoxylol | o-(Bromomethyl)benzyl bromide | SCHEMBL28289 | UNII-9FRJ55E5UL | Benzene,2-bis(bromomethyl)- | D0214 | .alpha.,.alpha. '-Dibromo-ortho-xylene | 1,

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

AC-16898 | o-Xylene, .alpha.,.alpha.'-dibromo- | 2-(BROMOMETHYL)BENZYL BROMIDE | alpha,alpha'-dibromoxylol | o-(Bromomethyl)benzyl bromide | SCHEMBL28289 | UNII-9FRJ55E5UL | Benzene,2-bis(bromomethyl)- | D0214 | .alpha.,.alpha. '-Dibromo-ortho-xylene | 1,

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

508811259

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508811259

Sonrisas canónicas

C1=CC=C(C(=C1)CBr)CBr

IUPAC Name

1,2-bis(bromomethyl)benzene

InChIKey

KGKAYWMGPDWLQZ-UHFFFAOYSA-N

INCHI

1S/C8H8Br2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2

Isómeros SMILES

C1=CC=C(C(=C1)CBr)CBr

WGK Alemania

2

Número ONU

3448

Peso molecular

263.96

Beilstein

637159

Reaxy-Rn

637159

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=637159&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: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl 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: Solubility in toluene is almost transparent and ethanol. Insoluble in water.
• Sensibilidad: light sensitive；Moisture sensitive
• Punto de ebullición (°C): 140°C/20mmHg
• Punto de fusión (°C): 93°C
• Peso molecular: 263.960 g/mol
• XLogP3: 3.000
• 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: 81.300
• 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