α,α'-Dibromo-p-xylene - ≥97% , CAS No.623-24-5

CAS: 623-24-5 Cat. No.: D100654 Formule: C₈H₈Br₂ Poids moléculaire: 263.96 Beilstein Registry Number: 1100019 Numéro CE: 210-781-1

GRADE & PURITY ≥97%

Synonyms

p-Xylylene dibromide | p-Xylylene bromide | 1,4-Bis(bromomethyl)benzene

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonymes

p-Xylylene dibromide | p-Xylylene bromide | 1,4-Bis(bromomethyl)benzene

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

508811258

Sourires canoniques

C1=CC(=CC=C1CBr)CBr

IUPAC Name

1,4-bis(bromomethyl)benzene

InChIKey

RBZMSGOBSOCYHR-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

C1=CC(=CC=C1CBr)CBr

WGK Allemagne

3

Numéro ONU

2928

Groupe d'emballage

II

Poids moléculaire

263.96

Beilstein

1100019

Reaxy-Rn

1100019

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1100019&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: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in water (react), and toluene.
• Sensibilité: Light & Moisture sensitive
• Point d'ébullition (°C): 245°C
• Point de fusion (°C): 142-147°C
• Poids moléculaire: 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: 73.300
• 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