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CS-W001157 4
Total: USD 88.00

2-Chloro-N-isopropylnicotinamide

  • CAS No. 56904-63-3

  • Cat. No. CS-0465861
  • Purity≥98%
  • MDL No.MFCD01356915

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

2-Chloro-N-isopropylnicotinamide|CS-0465861

Structure of 56904-63-3

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General Information

  • CAS No. 56904-63-3
  • Cat. No. CS-0465861
  • Purity ≥98%
  • MDL No. MFCD01356915
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁ClN₂O
  • Molecular Weight 198.65
  • Synonym(s) N-isopropyl-2-chloronicotinamide
  • SMILES CC(NC(C1=C(N=CC=C1)Cl)=O)C

Synthesis

  • Route1
    • 2-Chloronicotinoyl chloride|CS-W017427
      49609-84-9
    • null|null
      75-31-0
    • ~72%
    • 2-Chloro-N-isopropylnicotinamide|CS-0465861
      56904-63-3

    References

    • Zhang, Zhichao; Liu, Chengwu; Li, Xiangqian; Song, Ting; Wu, Zhiyong; Liang, Xiaomeng; Zhao, Yan; Shen, Xiaoyun; Chen, Hongbo European Journal of Medicinal Chemistry, 2013 , vol. 60, p. 410 - 420
  • Route2

    References

    • Zhang, Zhichao; Liu, Chengwu; Li, Xiangqian; Song, Ting; Wu, Zhiyong; Liang, Xiaomeng; Zhao, Yan; Shen, Xiaoyun; Chen, Hongbo European Journal of Medicinal Chemistry, 2013 , vol. 60, p. 410 - 420
  • Route3
    • 3-Pyridinecarbonitrile, 2-chloro-|CS-0654103
      6602-54-6
    • ~%
    • 2-Chloro-N-isopropylnicotinamide|CS-0465861
      56904-63-3

    References

    • Zhang, Zhichao; Liu, Chengwu; Li, Xiangqian; Song, Ting; Wu, Zhiyong; Liang, Xiaomeng; Zhao, Yan; Shen, Xiaoyun; Chen, Hongbo European Journal of Medicinal Chemistry, 2013 , vol. 60, p. 410 - 420

Safety Information

Download SDS
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   41.99
  • LogP   1.8732
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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