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CS-W001157 4
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3,4,5,6,7,8-Hexahydroanthracen-1(2H)-one

  • CAS No. 5440-71-1

  • Cat. No. CS-0547804
  • Purity≥98%
  • MDL No.None

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

3,4,5,6,7,8-Hexahydroanthracen-1(2H)-one|CS-0547804

Structure of 5440-71-1

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General Information

  • CAS No. 5440-71-1
  • Cat. No. CS-0547804
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₆O
  • Molecular Weight 200.28
  • Synonym(s) 3,4,5,6,7, 8-Hexahydroanthracen-1(2H)-one
  • SMILES C1CCC2=CC3=C(CCCC3=O)C=C2C1

Synthesis

  • Route1
    • null|null
      930-68-7
    • In-stock
      Octa-1,7-diyne|CS-0313122
      871-84-1
    • ~58%
    • 3,4,5,6,7,8-Hexahydroanthracen-1(2H)-one|CS-0547804
      5440-71-1
    • null|null
      1914-36-9

    References

    • Sambaiah; Li; Huang; Lin; Rayabarapu; Cheng Journal of Organic Chemistry, 1999 , vol. 64, # 10 p. 3663 - 3670
  • Route2
    • 4-(5,6,7,8-Tetrahydronaphthalen-2-yl)butanoic acid|CS-0970511
      782-27-4
    • ~%
    • 3,4,5,6,7,8-Hexahydroanthracen-1(2H)-one|CS-0547804
      5440-71-1

    References

    • Krollpfeiffer; Schaefer Chemische Berichte, 1923 , vol. 56, p. 630
  • Route3
    • 1,2,3,4,5,6,7,8-Octahydroanthracene|CS-0233388
      1079-71-6
    • ~%
    • 3,4,5,6,7,8-Hexahydroanthracen-1(2H)-one|CS-0547804
      5440-71-1

    References

    • Schroeter Chemische Berichte, 1924 , vol. 57, p. 2014 Chem. Zentralbl., 1928 , vol. 99, # II p. 1386 Full Text Show Details Schroeter, Tetralin-Ges. Patent: DE352721 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 14, p. 830

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

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.0844
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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