2-Bromoadamantane - ≥97%(GC) , CAS No.7314-85-4

CAS: 7314-85-4 Cat. No.: B133575 Fórmula: C₁₀H₁₅Br Peso molecular: 215.13 Número EC: 230-777-3

CALIDAD & PUREZA ≥97%(GC)

Synonyms

(trans)-4-(tert-butoxycarbonylamino)cyclohexyl methanesulfonate|2-bromanyladamantane|2-Bromotricyclo[3.3.1.13.7]decane|Tricyclo[3.3.1.1(3,7)]decane, 2-bromo-|Tricyclo[3.3.1.13,7]decane, 2-bromo-|Adamantane, 2-bromo-|2-bromotricyclo[3.3.1.1~3,7~]decane|2-Adamantyl bromide|2-Bromoadamantane|Tricyclo[3.3.1.1(3,7)]decane,2-bromo-

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

(trans)-4-(tert-butoxycarbonylamino)cyclohexyl methanesulfonate | 2-bromanyladamantane | 2-Bromotricyclo[3.3.1.13.7]decane | Tricyclo[3.3.1.1(3,7)]decane, 2-bromo- | Tricyclo[3.3.1.13,7]decane, 2-bromo- | Adamantane, 2-bromo- | 2-bromotricyclo[3.3.1.1~3,7~]decane | 2-Adamantyl bromide | 2-Bromoadamantane | Tricyclo[3.3.1.1(3,7)]decane,2-b Show more

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

Pubchem Sid

528757250

Sonrisas canónicas

C1C2CC3CC1CC(C2)C3Br

IUPAC Name

2-bromoadamantane

InChIKey

RCXJARRRXOPXBC-UHFFFAOYSA-N

INCHI

1S/C10H15Br/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2

Isómeros SMILES

C1C2CC3CC1CC(C2)C3Br

WGK Alemania

3

Peso molecular

215.13

Reaxy-Rn

1852721

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1852721&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 homopolycyclic compounds
• Substituents: Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic homopolycyclic 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

Objetivos asociados (no humanos)

Saccharomyces cerevisiae (19171 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility in Methanol almost transparency
• Punto de fusión (°C): 138-144 °C
• Peso molecular: 215.130 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 214.036 Da
• Monoisotopic Mass: 214.036 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 148.000
• 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