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

CAS: 623-24-5 Cat. No.: D100654 Molecular Weight: 263.96 Beilstein Registry Number: 1100019 EC Number: 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

Synonyms

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

Specifications & Purity

≥97%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=CC=C1CBr)CBr
• WGK Germany: 3
• UN Number: 2928
• Packing Group: II
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Benzyl halides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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

Chemical and Physical Properties

• Solubility: Soluble in water (react), and toluene.
• Sensitivity: Light & Moisture sensitive
• Boil Point(°C): 245°C
• Melt Point(°C): 142-147°C
• Molecular Weight: 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

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