1-Bromoadamantane - ≥97%(GC) , CAS No.768-90-1

CAS: 768-90-1 Cat. No.: B120308 Molecular Weight: 215.13 Beilstein Registry Number: 1098857 EC Number: 212-200-7

GRADE & PURITY ≥97%(GC)

Synonyms

C10H15Br | SCHEMBL258925 | O10392 | 1-Bromoadamanthane | DTXSID50880632 | (3s,5s,7s)-1-bromoadamantane | 1-Bromoadamantane (purified by sublimation) | A840071 | AM20090818 | 1-Adamantyl bromide | 1-Bromoadamantane # | AS-49983 | 1-bromotricyclo[3.3.1.1~3,

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

1-Bromoadamantane forms inclusion complexes with α-, β-, and γ-cyclodextrins. It causes the alkylation of Co(II) complexes of β-diketones.
1-Bromoadamantane was used in the synthesis of a new organic–organic nanoscale composite thin-film dielectric

Specifications

Synonyms

C10H15Br | SCHEMBL258925 | O10392 | 1-Bromoadamanthane | DTXSID50880632 | (3s, 5s, 7s)-1-bromoadamantane | 1-Bromoadamantane (purified by sublimation) | A840071 | AM20090818 | 1-Adamantyl bromide | 1-Bromoadamantane # | AS-49983 | 1-bromotricyclo[3.3.1.1~3,

Specifications & Purity

≥97%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488185681
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185681
• Canonical Smiles: C1C2CC3CC1CC(C2)(C3)Br
• IUPAC Name: 1-bromoadamantane
• InChIKey: VQHPRVYDKRESCL-UHFFFAOYSA-N
• INCHI: 1S/C10H15Br/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
• Isomeric SMILES: C1C2CC3CC1CC(C2)(C3)Br
• WGK Germany: 3
• Molecular Weight: 215.13
• Beilstein: 1098857
• Reaxy-Rn: 1098857
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098857&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: It is soluble in organic solvents and insoluble in water.
• Sensitivity: Moisture & Light & Air sensitive.
• Melt Point(°C): 119°C
• Molecular Weight: 215.130 g/mol
• XLogP3: 3.600
• 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: 144.000
• 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

References

1. Yizhou Wu, Wenqi Zhou, Liang Zhou, Su-Il In, Juying Lei, Lingzhi Wang, Jinlong Zhang, Yongdi Liu.  (2023)  Near-infrared photothermal effect enhanced heterogeneous catalysis of Co3O4/PDA composite for highly efficient activation of peroxymonosulfate to degrade antibiotic pollutants.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.145267]

2. Dongxue Lei, Xiaowen Xie, Yongjie Xiang, Xiongfei Huang, Fei Xiao, Jianping Cao, Guangqing Li, Dennis Y.C. Leung, Haibao Huang.  (2022)  An efficient process for aromatic VOCs degradation: Combination of VUV photolysis and photocatalytic oxidation in a wet scrubber.  CHEMOSPHERE,      [PMID:36191768] [10.1016/j.chemosphere.2022.136656]

3. Lingling Ma, Lv Li, Minghao Yuan, Lei Bai, Anran Zhang, Xiaoming Yan, Gaohong He, Fengxiang Zhang.  (2022)  Hydrophilic–Hydrophobic Bulky Units Modified Anion Exchange Membranes for Fuel Cell Application.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.1c07886]