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CAS 1441-56-1

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1,3-butadiene-D6

Description:
1,3-Butadiene-D6 is a deuterated form of 1,3-butadiene, a simple conjugated diene with the molecular formula C4H6, where the hydrogen atoms are replaced by deuterium, a stable isotope of hydrogen. This compound is characterized by its colorless gas state at room temperature and its distinct sweet odor. The presence of double bonds in its structure contributes to its reactivity, making it a key building block in the synthesis of various polymers, particularly synthetic rubber. The deuteration enhances its utility in studies involving nuclear magnetic resonance (NMR) spectroscopy, as the presence of deuterium alters the NMR signals, allowing for more precise analysis of molecular dynamics and interactions. 1,3-Butadiene-D6 is also used in research applications to trace reaction pathways and mechanisms due to its isotopic labeling. As with its non-deuterated counterpart, it is flammable and poses health risks upon exposure, necessitating appropriate safety measures during handling and storage.
Formula:C41H6
InChI:InChI=1/C4H6/c1-3-4-2/h3-4H,1-2H2/i1H2,2H2,3H,4H
SMILES:C=CC=C
Synonyms:
  • 1,3-Butadiene, hexadeutero-, trans-
  • (~3~H_6_)buta-1,3-diene
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