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CS-W001157 4
Total: USD 88.00

5-chloro-1-methylpyrazole-4-carbonitrile

  • CAS No. 111493-52-8

  • Cat. No. CS-0061724
  • Molecule weight141.56
  • Purity≥97%
  • MDL No.None

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

5-chloro-1-methylpyrazole-4-carbonitrile|CS-0061724

Structure of 111493-52-8

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General Information

  • CAS No. 111493-52-8
  • Cat. No. CS-0061724
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₄ClN₃
  • Molecular Weight 141.56
  • Synonym(s) 5-Chloro-1-methyl-1H-pyrazole-4-carbonitrile
  • SMILES CN1C(=C(C#N)C=N1)Cl

Synthesis

  • Route1

    References

    • RALLIS INDIA LIMITED; PALIMKAR, Sanjay Sambhajirao; PAWAR, Jivan Dhanraj; SANKAR, B; KADAM, Subhash Rajaram; HINDUPUR, Rama Mohan; PRABHU, Venkatesh M.; PATI, Hari Narayan; SUPHALA, Vadiraj Gopinath; MANE, Avinash Sheshrao Patent: WO2014/2111 A1, 2014 ; Location in patent: Page/Page column 38; 39 ;
  • Route2

    References

    • RALLIS INDIA LIMITED; PALIMKAR, Sanjay Sambhajirao; PAWAR, Jivan Dhanraj; SANKAR, B; KADAM, Subhash Rajaram; HINDUPUR, Rama Mohan; PRABHU, Venkatesh M.; PATI, Hari Narayan; SUPHALA, Vadiraj Gopinath; MANE, Avinash Sheshrao Patent: WO2014/2109 A1, 2014 ; Location in patent: Page/Page column 97 ;
  • Route3

    References

    • Yamamoto, Susumu; Morimoto, Katsushi; Sato, Toshiaki Journal of Heterocyclic Chemistry, 1991 , vol. 28, # 6 p. 1545 - 1547

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   41.61
  • LogP   0.94518
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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