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

CAS: 2245-43-4 Cat. No.: B588238 Formula: C₁₆H₁₉Br Peso molecolare: 291.23 Numero 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

Sinonimi

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-

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Desiccated

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504759588
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759588
• Sorrisi canonici: 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
• Isomeri SMILES: C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)Br
• Peso molecolare: 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
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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