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CS-W001157 4
Total: USD 88.00

1-(Thiophen-2-yl)heptan-1-one

  • CAS No. 30711-40-1

  • Cat. No. CS-W010586
  • Purity≥95%
  • MDL No.MFCD00052588

*For research and further manufacturing use only, not for direct human use.

1-(Thiophen-2-yl)heptan-1-one|CS-W010586

Structure of 30711-40-1

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General Information

  • CAS No. 30711-40-1
  • Cat. No. CS-W010586
  • Purity ≥95%
  • MDL No. MFCD00052588
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₆OS
  • Molecular Weight 196.31
  • Synonym(s) 2-(n-Heptanoyl)thiophene
  • SMILES CCCCCCC(C1=CC=CS1)=O

Synthesis

  • Route1
    • null|null
      188290-36-0
    • null|null
      67132-63-2
    • ~80%
    • 1-(Thiophen-2-yl)heptan-1-one|CS-W010586
      30711-40-1

    References

    • Kozikowski, Alan P.; Ames, Anthony Journal of the American Chemical Society, 1980 , vol. 102, # 2 p. 860 - 862
  • Route2
    • null|null
      188290-36-0
    • null|null
      101821-90-3
    • ~81%
    • 1-(Thiophen-2-yl)heptan-1-one|CS-W010586
      30711-40-1

    References

    • Kozikowski, Alan P.; Ames, Anthony Tetrahedron, 1985 , vol. 41, # 21 p. 4821 - 4834
  • Route3
    • null|null
      188290-36-0
    • Heptanoyl chloride|CS-0185661
      2528-61-2
    • ~%
    • 1-(Thiophen-2-yl)heptan-1-one|CS-W010586
      30711-40-1

    References

    • Chemische Berichte, , vol. 19, p. 671

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.9012
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   6

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