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CAS 33838-52-7

:

Heptane-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-d16

Description:
Heptane-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-d16, with the CAS number 33838-52-7, is a deuterated form of heptane, a straight-chain alkane with seven carbon atoms. The presence of deuterium, a stable isotope of hydrogen, in multiple positions of the heptane molecule enhances its utility in various scientific applications, particularly in nuclear magnetic resonance (NMR) spectroscopy and tracer studies. This compound is typically colorless and has a characteristic hydrocarbon odor. It is non-polar and exhibits low solubility in water, while being soluble in organic solvents. Heptane and its derivatives are commonly used as solvents and in the formulation of fuels. The deuterated version allows for more precise measurements in analytical chemistry due to the distinct NMR signals produced by deuterium. Safety considerations include flammability and potential health hazards upon inhalation or skin contact, necessitating appropriate handling and storage protocols.
Formula:C7D16
InChI:InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2
InChI key:InChIKey=IMNFDUFMRHMDMM-NEBSKJCTSA-N
SMILES:C(C(C(C([2H])([2H])[2H])([2H])[2H])([2H])[2H])(C(C(C([2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H]
Synonyms:
  • (~2~H_16_)Heptane
  • Heptane-D_16_
  • Heptane-d16
  • Perdeuteroheptane
  • 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-Hexadecadeuterioheptane
  • Heptane-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-d16
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