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1-Bromododecane-d₂₅ - 98 atom% D, high purity , CAS No.204259-66-5
Basic Description
Synonyms
Lauryl bromide-d25 | D98280 | 1-Bromo(~2~H_25_)dodecane | AKOS015913093 | 1-Bromododecane-d25, 98 atom % D | J-013303 | 1-Bromododecane-d25 | DTXSID90583892 | 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosadeuteriododecane | HY-
Specifications & Purity
≥98 atom% D
Taxonomic Classification
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.
Names and Identifiers
IUPAC Name
1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosadeuteriododecane
INCHI
InChI=1S/C12H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2
InChIKey
PBLNBZIONSLZBU-VVZIYBSUSA-N
Smiles
CCCCCCCCCCCCBr
Isomeric SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Br
Molecular Weight
274.38
Reaxy-Rn
506159
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506159&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
n20/D 1.458 (lit.)
Flash Point(°F)
235.4 °F - closed cup
Flash Point(°C)
113 °C - closed cup
Boil Point(°C)
134-135℃/6mmHg (lit.)
Melt Point(°C)
−11-−9℃ (lit.)
Molecular Weight
274.380 g/mol
XLogP3
7.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
10
Exact Mass
273.271 Da
Monoisotopic Mass
273.271 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
81.200
Isotope Atom Count
25
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
Citations of This Product
1.
Shaowen Pei, Xiuping Ju, Jinsheng Zhao, Hongmei Du.
(2019)
Synthesis and Electrochromic Properties of Two Random Copolymers Containing Benzotriazole, Benzothiadiazole as Electron Acceptors and Benzodithiophene or Indacenodithiophene as Electron Donors. International Journal of Electrochemical Science,
14
(6643).
2.
Shuang Chen, Lingqian Kong, Chaolei Ban, Jinsheng Zhao, Hongmei Du.
(2018)
Synthesis and Characterization of Four Random copolymers Containing Fluorene as Electron Donors and Benzotriazole, Benzothiadiazole, Pyrido[3,4-b]pyrazine as Electron Acceptors. International Journal of Electrochemical Science,
13
(9964).
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2 Citations