≥98 atom% D for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCCCCCCCCCCBr |
|---|---|
| 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 |
| InChIKey | PBLNBZIONSLZBU-VVZIYBSUSA-N |
| 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 |
| 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= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| 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 |
| 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 |
| 1. Shaowen Pei, Xiuping Ju, Jinsheng Zhao, Hongmei Du. (2023) 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, [PMID:] [10.20964/2019.07.23] |
| 2. Shuang Chen, Lingqian Kong, Chaolei Ban, Jinsheng Zhao, Hongmei Du. (2023) 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, [PMID:] [10.20964/2018.10.16] |
