1,2-Dibromohexane - ≥97% , CAS No.624-20-4

CAS: 624-20-4 Cat. No.: D695416 Fórmula: C₆H₁₂Br₂ Peso molecular: 243.97 Número CE: 613-031-5

GRADE & PURITY ≥97%

Synonyms

Hexane,1,2-dibromo | 1,2-dibromo-hexan

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Hexane,1,2-dibromo | 1,2-dibromo-hexan

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Sorrisos canónicos: CCCCC(CBr)Br
• IUPAC Name: 1,2-dibromohexane
• InChIKey: NUUUANNAZVEWHM-UHFFFAOYSA-N
• INCHI: 1S/C6H12Br2/c1-2-3-4-6(8)5-7/h6H,2-5H2,1H3
• SMILES isoméricas: CCCCC(CBr)Br
• WGK Alemanha: 3
• Peso molecular: 243.97

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Organobromides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organobromides
• Alternative Parents: Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as organobromides. These are compounds containing a chemical bond between a carbon atom and a bromine atom.
• 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

Propriedades químicas e físicas

• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 113 °C
• Peso molecular: 243.970 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 243.929 Da
• Monoisotopic Mass: 241.931 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 45.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1