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CS-W001157 4
Total: USD 88.00

4-(3,4-Dichlorophenyl)butan-2-one

  • CAS No. 42160-40-7

  • Cat. No. CS-0035638
  • Purity95+%
  • MDL No.None

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

4-(3,4-Dichlorophenyl)butan-2-one|CS-0035638

Structure of 42160-40-7

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General Information

  • CAS No. 42160-40-7
  • Cat. No. CS-0035638
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀Cl₂O
  • Molecular Weight 217.09
  • Synonym(s) None
  • SMILES CC(=O)CCC1=CC(=C(C=C1)Cl)Cl

Synthesis

  • Route1

    References

    • BRISTOL-MYERS SQUIBB COMPANY; HU, Carol Hui; QIAO, Jennifer X.; WANG, Tammy C. Patent: WO2013/151923 A1, 2013 ; Location in patent: Paragraph 00173 ;
  • Route2
    • null|null
      1429293-32-2
    • null|null
      75-16-1
    • ~60%
    • 4-(3,4-Dichlorophenyl)butan-2-one|CS-0035638
      42160-40-7

    References

    • BRISTOL-MYERS SQUIBB COMPANY; ABELL, Lynn; ADAM, Leonard; CAVALLARO, Cullen L.; FINLAY, Heather; FRIENDS, Todd J.; HANGELAND, Jon J.; JIANG, Ji; LAWRENCE, R. Michael; LLOYD, John; PI, Zulan; TORA, George O.; QIAO, Jennifer X.; HU, Carol Hui; WANG, Tammy C. Patent: WO2013/48982 A1, 2013 ; Location in patent: Paragraph 00190 ;
  • Route3
    • null|null
      102-47-6
    • null|null
      123-54-6
    • ~%
    • 4-(3,4-Dichlorophenyl)butan-2-one|CS-0035638
      42160-40-7

    References

    • Rosowsky; Chen; Lin Journal of medicinal chemistry, 1973 , vol. 16, # 3 p. 191 - 194

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.515
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   3

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