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CS-W001157 4
Total: USD 88.00

2-(4-Chlorophenyl)-3-oxobutanenitrile

  • CAS No. 5219-07-8

  • Cat. No. CS-0213148
  • Molecule weight193.63
  • Purity≥98%
  • MDL No.MFCD01672899

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

2-(4-Chlorophenyl)-3-oxobutanenitrile|CS-0213148

Structure of 5219-07-8

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General Information

  • CAS No. 5219-07-8
  • Cat. No. CS-0213148
  • Purity ≥98%
  • MDL No. MFCD01672899
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈ClNO
  • Molecular Weight 193.63
  • Synonym(s) α-Acetyl-4-chlorobenzeneacetonitrile
  • SMILES CC(=O)C(C#N)C1=CC=C(C=C1)Cl

Synthesis

  • Route1

    References

    • BIOENERGENIX Patent: US2012/277224 A1, 2012 ; Location in patent: Page/Page column 52 ; US 20120277224 A1
  • Route2

    References

    • Tarnchompoo, Bongkoch; Sirichaiwat, Chawanee; Phupong, Worrapong; Intaraudom, Chakapong; Sirawaraporn, Worachart; Kamchonwongpaisan, Sumalee; Vanichtanankul, Jarunee; Thebtaranonth, Yodhathai; Yuthavong, Yongyuth Journal of Medicinal Chemistry, 2002 , vol. 45, # 6 p. 1244 - 1252

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-H319
Precautionary Statements : P264-P270-P280-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   2.53618
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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