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CS-W001157 4
Total: USD 88.00

4-Chloro-3-(trifluoromethyl)-1H-pyrazole

  • CAS No. 401517-15-5

  • Cat. No. CS-0080406
  • Purity≥98%
  • MDL No.MFCD04969229

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

4-Chloro-3-(trifluoromethyl)-1H-pyrazole|CS-0080406

Structure of 401517-15-5

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General Information

  • CAS No. 401517-15-5
  • Cat. No. CS-0080406
  • Purity ≥98%
  • MDL No. MFCD04969229
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₂ClF₃N₂
  • Molecular Weight 170.52
  • Synonym(s) Phenol,p-chloro-m-(trifluoromethyl)
  • SMILES FC(F)(F)C1=NNC=C1Cl

Synthesis

  • Route1

    References

    • ChemoCentryx, Inc.; Chen, Xi; Dragoli, Dean R.; Fan, Pingchen; Li, Yandong; Powers, Jay P.; Punna, Sreenivas; Tanaka, Hiroko; Zhang, Penglie Patent: US2014/57937 A1, 2014 ; Location in patent: Paragraph 0232; 0233 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H227-H302-H315-H318
Precautionary Statements : P210-P264-P270-P280-P302+P352-P330-P362+P364-P370+P378-P403-P501

Quality Control

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Computational Chemistry Data

  • TPSA   28.68
  • LogP   2.0819
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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