1-(4-Bromophenyl)adamantane - ≥98% , CAS No.2245-43-4

CAS: 2245-43-4 Cat. No.: B588238 Fórmula: C₁₆H₁₉Br Peso molecular: 291.23 Número EC: 884-375-3

GRADE & PURITY ≥98%

Synonyms

FT-0699315 | AKOS004121003 | AKOS000479231 | 4-(Adamantyl-1)bromobenzene | 4-Adamantyl-1-bromobenzene | 1-(4-Bromophenyl)adamantane | 1-(4-Bromophenyl)adamantane # | SY307717 | 1-(4-bromophenyl)tricyclo[3.3.1.1~3,7~]decane | SCHEMBL2709413 | BCP15073 | 4-

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

FT-0699315 | AKOS004121003 | AKOS000479231 | 4-(Adamantyl-1)bromobenzene | 4-Adamantyl-1-bromobenzene | 1-(4-Bromophenyl)adamantane | 1-(4-Bromophenyl)adamantane # | SY307717 | 1-(4-bromophenyl)tricyclo[3.3.1.1~3,7~]decane | SCHEMBL2709413 | BCP15073 | 4-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature,Desiccated

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504759588

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759588

Sonrisas canónicas

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)Br

IUPAC Name

1-(4-bromophenyl)adamantane

InChIKey

KCZDTZZRNNRKQE-UHFFFAOYSA-N

INCHI

1S/C16H19Br/c17-15-3-1-14(2-4-15)16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13H,5-10H2

Isómeros SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)Br

Peso molecular

291.23

Reaxy-Rn

2418074

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2418074&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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

• Peso molecular: 291.230 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 290.067 Da
• Monoisotopic Mass: 290.067 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 259.000
• 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