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CS-W001157 4
Total: USD 88.00

3-Chloro-α-[(4-methylphenyl)sulfonyl]-2-quinoxalineacetonitrile

  • CAS No. 121512-59-2

  • Cat. No. CS-0218794
  • Purity95+%
  • MDL No.None

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

3-Chloro-α-[(4-methylphenyl)sulfonyl]-2-quinoxalineacetonitrile|CS-0218794

Structure of 121512-59-2

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General Information

  • CAS No. 121512-59-2
  • Cat. No. CS-0218794
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₁₂ClN₃O₂S
  • Molecular Weight 357.81
  • Synonym(s) (3-Chloro-quinoxalin-2-yl)-(toluene-4-sulfonyl)-acetonitrile
  • SMILES CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2Cl

Synthesis

  • Route1
    • 2,3-Dichloroquinoxaline|CS-W010519
      2213-63-0
    • null|null
      19158-51-1
    • ~%
    • 3-Chloro-α-[(4-methylphenyl)sulfonyl]-2-quinoxalineacetonitrile|CS-0218794
      121512-59-2

    References

    • REGENTS OF THE UNIVERSITY OF MINNESOTA; CHO, Yong-yeon; DONG, Zigang; BODE, Ann, M.; KIM, Dong, Joon; KIM, Myoung, Ok; REDDY, Kanamata, Srinivasa Patent: WO2013/138341 A1, 2013 ; Location in patent: Page/Page column 49 ;

Safety Information

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

Quality Control

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Computational Chemistry Data

  • TPSA   83.71
  • LogP   3.6302
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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