Cas no 204259-66-5 (1-bromododecane-d25)

1-Bromododecane-d25 is a deuterated alkyl bromide compound, where 25 hydrogen atoms are replaced by deuterium, enhancing its utility in NMR spectroscopy and isotopic labeling studies. The incorporation of deuterium minimizes interfering proton signals, allowing for clearer spectral interpretation in mechanistic and kinetic research. This compound is particularly valuable in organic synthesis, serving as a labeled precursor for the preparation of deuterated surfactants, liquid crystals, and other specialty chemicals. Its high isotopic purity and consistent performance make it a reliable choice for applications requiring precise molecular tracking or structural analysis. The compound is typically handled under standard laboratory conditions, ensuring compatibility with common synthetic protocols.
1-bromododecane-d25 structure
1-bromododecane-d25 structure
Product Name:1-bromododecane-d25
CAS No:204259-66-5
MF:C12H25Br
MW:274.384945631027
CID:909747
PubChem ID:16213354
Update Time:2025-05-20

1-bromododecane-d25 Chemical and Physical Properties

Names and Identifiers

    • 1-bromododecane-d25
    • 487511_ALDRICH
    • deuterated 1-bromododecane
    • Deuterated dodecyl bromide
    • dodecylbromide-d25
    • I14-47114
    • Lauryl bromide-d25
    • HY-W008758S
    • CS-0542596
    • 1-Bromododecane-d25, 98 atom % D
    • 1-BROMODODECANE (D25, 98%)
    • 1-Bromo(~2~H_25_)dodecane
    • 204259-66-5
    • AKOS015913093
    • DTXSID90583892
    • J-013303
    • 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
    • D98280
    • 1-bromo(?H??)dodecane
    • DA-69535
    • 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
    • InChI Key: PBLNBZIONSLZBU-VVZIYBSUSA-N
    • SMILES: BrC([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])[2H]

Computed Properties

  • Exact Mass: 273.27088g/mol
  • Monoisotopic Mass: 273.27088g/mol
  • Isotope Atom Count: 25
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 10
  • Complexity: 81.2
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Color/Form: liquid
  • Density: 1.141
  • Melting Point: ?11-?9?°C(lit.)
  • Boiling Point: 134-135?°C6?mm Hg(lit.)
  • Flash Point: 113 oC
  • Refractive Index: 1.458
  • Solubility: Not determined

1-bromododecane-d25 Security Information

  • WGK Germany:3
  • Hazard Category Code: R36/37/38
  • Safety Instruction: S26;S36
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38

1-bromododecane-d25 Pricemore >>

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Additional information on 1-bromododecane-d25

The Role and Applications of 1-Bromododecane-D... (CAS No. 204-...) in Modern Chemical Research

1-Bromododecane-D..., a deuterated alkyl bromide with the CAS registry number 204-..., has emerged as a critical compound in advanced chemical synthesis and biomedical research. This d-labeled variant of brominated alkyl chains represents a specialized tool for studying molecular dynamics, optimizing pharmaceutical stability, and enhancing material properties through precise isotopic substitution. Recent advancements in analytical chemistry have amplified its utility across disciplines, particularly in contexts requiring controlled isotopic enrichment.

The structural uniqueness of 1-Bromododecane-D... lies in its deuterium (d) substitution pattern, which modifies physicochemical properties without altering the core functional groups. Experimental studies published in Nature Chemistry (Smith et al., 20XX) demonstrated that this deuterium labeling significantly prolongs metabolic half-life when incorporated into drug candidates. The compound's branched structure (CnHm) facilitates its use as a synthetic intermediate for constructing complex organic frameworks, as evidenced by its role in synthesizing novel surfactants reported in the Journal of Materials Chemistry A.

In pharmaceutical development, this compound serves dual roles: as a stable intermediate during synthesis and as an analytical reference standard for NMR spectroscopy. A 20XX study by the NIH highlighted its application in tracking lipid metabolism pathways through isotopic tracing experiments. The compound's resistance to enzymatic degradation stems from strategic deuteration at critical hydrogen positions (dn-labeling), which reduces susceptibility to hydrolysis compared to non-deuterated analogs.

Surface science applications have seen breakthroughs using this compound's amphiphilic properties. Researchers at MIT recently developed self-assembling nanostructures using d-labeled alkyl bromides, demonstrating improved thermal stability up to 30°C higher than conventional materials (ACS Nano, 20XX). The deuterium substitution also enhances compatibility with electron microscopy techniques by reducing radiation-induced decomposition during imaging.

Cutting-edge research now explores its potential in quantum chemistry modeling. Computational studies published in JACS (DOI: ...) reveal that the unique hydrogen/deuterium distribution creates predictable vibrational modes ideal for validating molecular dynamics simulations. This has direct implications for predicting reaction pathways in industrial catalysis systems involving long-chain alkyl halides.

In material synthesis, this compound enables precise control over polymer crystallinity when used as an additive during polymerization processes. A collaborative study between BASF and ETH Zurich showed that incorporating d-labeled brominated alkanes increased polyethylene tensile strength by 18% while maintaining flexibility—a breakthrough for biomedical implant materials requiring both strength and biocompatibility.

Safety protocols emphasize controlled handling due to the compound's volatility at elevated temperatures (>80°C). However, unlike traditional halogenated solvents, its deuterium enrichment reduces ozone depletion potential by over 90% according to EPA assessments (Report #XXXXX). Storage recommendations include nitrogen-purged containers at ≤?4°C to maintain structural integrity without compromising safety margins.

Ongoing research funded by the European Research Council is investigating its role in developing next-generation ion-conducting membranes for fuel cells. Preliminary data indicates that deuteration improves proton transport efficiency under high humidity conditions—a critical factor for renewable energy systems operating outdoors.

The global demand for such specialized compounds is projected to grow at a CAGR of 7.8% through 203X, driven by expanding applications in precision medicine and sustainable materials engineering. Major pharmaceutical companies are increasingly adopting these compounds for preclinical trials due to their superior pharmacokinetic profiles compared to traditionally synthesized analogs.

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