1-Bromodocosane - ≥95% , CAS No.6938-66-5

CAS: 6938-66-5 Cat. No.: B152631 Molecular Weight: 389.51 EC Number: 230-069-4

GRADE & PURITY ≥95%

Synonyms

n-Docosyl bromide | Docosyl bromide | C22H45Br | DTXSID3064510 | EN300-6494012 | EINECS 230-069-4 | 5-(p-nitrophenyl)-2-furaldehyde;5-(P-Nitrophenyl)-2-furancarbaldehyde | NSC53991 | NSC-53991 | NSC 53991 | SY051880 | 1-Bromodocosane | docosylbromide | Be

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

n-Docosyl bromide | Docosyl bromide | C22H45Br | DTXSID3064510 | EN300-6494012 | EINECS 230-069-4 | 5-(p-nitrophenyl)-2-furaldehyde;5-(P-Nitrophenyl)-2-furancarbaldehyde | NSC53991 | NSC-53991 | NSC 53991 | SY051880 | 1-Bromodocosane | docosylbromide | Be

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488185954
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185954
• Canonical Smiles: CCCCCCCCCCCCCCCCCCCCCCBr
• IUPAC Name: 1-bromodocosane
• InChIKey: QYOXLKAKUAASNA-UHFFFAOYSA-N
• INCHI: 1S/C22H45Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h2-22H2,1H3
• Isomeric SMILES: CCCCCCCCCCCCCCCCCCCCCCBr
• Molecular Weight: 389.51
• Reaxy-Rn: 1770458
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1770458&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 acyclic compounds
• Substituents: Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic acyclic 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: Solubility in Toluene almost transparency
• Melt Point(°C): 44 °C
• Molecular Weight: 389.500 g/mol
• XLogP3: 12.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 20
• Exact Mass: 388.27 Da
• Monoisotopic Mass: 388.27 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 190.000
• 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. Haoyu Liu, Jingye Ma, Hong Yuan, Xiang Shi.  (2024)  Catalytic cracking of oleic acid to generate aviation kerosene using platinum–modified ZSM–5 nanosheets.  JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY,      [PMID:] [10.1002/jctb.7714]

2. Xin Guo, Zhiyuan Wang, Siqi Jiang, Mengwei Li, Jianing Guo, Yu Cui, Xueyang Wei, Baohui Qi, Qizhong Huang, Yanduo Liu, Hongquan Jiang, Yufeng Hu.  (2024)  Inductive effect in amino functionalized ionic liquids modified TS-1 nanosheets for efficiently sunlight-driven CO2 reduction.  FUEL,      [PMID:] [10.1016/j.fuel.2024.131504]