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

CAS: 624-20-4 Cat. No.: D695416 Formula: C₆H₁₂Br₂ Peso molecolare: 243.97 Numero EC: 613-031-5

GRADE & PURITY ≥97%

Synonyms

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

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: 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
• Isomeri SMILES: CCCCC(CBr)Br
• WGK Germania: 3
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 113 °C
• Peso molecolare: 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