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CS-W001157 4
Total: USD 88.00

5-Chloro-1-(p-tolyl)pentan-1-one

  • CAS No. 945-96-0

  • Cat. No. CS-0367113
  • Molecule weight210.70
  • Purity95+%
  • MDL No.None

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

5-Chloro-1-(p-tolyl)pentan-1-one|CS-0367113

Structure of 945-96-0

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General Information

  • CAS No. 945-96-0
  • Cat. No. CS-0367113
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅ClO
  • Molecular Weight 210.70
  • Synonym(s) 5-Chloro-1-(4-methylphenyl)-1-oxopentane
  • SMILES CC1=CC=C(C=C1)C(=O)CCCCCl

Synthesis

  • Route1
    • 1-(P-tolyl)cyclopentan-1-ol|CS-0353291
      78195-97-8
    • ~%
    • 5-Chloro-1-(p-tolyl)pentan-1-one|CS-0367113
      945-96-0

    References

    • Journal of the American Chemical Society, , vol. 87, p. 1515 - 1521
  • Route2
    • null|null
      4294-57-9
    • ~%
    • 5-Chloro-1-(p-tolyl)pentan-1-one|CS-0367113
      945-96-0

    References

    • Journal of the American Chemical Society, , vol. 87, p. 1515 - 1521
  • Route3
    • null|null
      1575-61-7
    • null|null
      108-88-3
    • ~84%
    • 5-Chloro-1-(p-tolyl)pentan-1-one|CS-0367113
      945-96-0

    References

    • Gromov; Skachilova; Aleksandrova; Kochergin Chemistry of Heterocyclic Compounds, 1999 , vol. 35, # 10 p. 1225 - 1229

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H341
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.58682
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   5

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