2,3-Dibromo-2,3-dimethylbutane - ≥98%(GC) , CAS No.594-81-0

CAS: 594-81-0 Cat. No.: D155004 Peso molecular: 243.97 Número EC: 679-691-1

GRADE & PURITY ≥98%(GC)

Synonyms

Pinacol Dibromide | 2,3-Dibromo-2,3-dimethylbutane | SCHEMBL7515149 | sym-Dibromotetramethylethane | Butane, 2,3-dibromo-2,3-dimethyl- | KLFWZEFFWWOMIF-UHFFFAOYSA-N | InChI=1/C6H12Br2/c1-5(2,7)6(3,4)8/h1-4H | MFCD00053168 | AKOS025295514 | BS-49699 | 1,2-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Pinacol Dibromide | 2, 3-Dibromo-2, 3-dimethylbutane | SCHEMBL7515149 | sym-Dibromotetramethylethane | Butane, 2, 3-dibromo-2, 3-dimethyl- | KLFWZEFFWWOMIF-UHFFFAOYSA-N | InChI=1/C6H12Br2/c1-5(2, 7)6(3, 4)8/h1-4H | MFCD00053168 | AKOS025295514 | BS-49699 | 1, 2-

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Pureza

≥98%(GC)

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C(C)(C)Br)Br
• IUPAC Name: 2,3-dibromo-2,3-dimethylbutane
• InChIKey: KLFWZEFFWWOMIF-UHFFFAOYSA-N
• INCHI: 1S/C6H12Br2/c1-5(2,7)6(3,4)8/h1-4H3
• Isómeros SMILES: CC(C)(C(C)(C)Br)Br
• Peso molecular: 243.97
• Reaxy-Rn: 1697416
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697416&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Light Sensitive,Air Sensitive,Heat Sensitive
• Punto de fusión (°C): 168 °C
• Peso molecular: 243.970 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• 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: 72.500
• 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