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CS-W001157 4
Total: USD 88.00

1-(2-Fluoro-6-(trifluoromethyl)benzyl)urea

  • CAS No. 830346-46-8

  • Cat. No. CS-0033523
  • Purity≥98%
  • MDL No.MFCD12546644

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

1-(2-Fluoro-6-(trifluoromethyl)benzyl)urea|CS-0033523

Structure of 830346-46-8

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General Information

  • CAS No. 830346-46-8
  • Cat. No. CS-0033523
  • Purity ≥98%
  • MDL No. MFCD12546644
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈F₄N₂O
  • Molecular Weight 236.17
  • Synonym(s) elagolixintermediate3
  • SMILES O=C(N)NCC1=C(C(F)(F)F)C=CC=C1F

Synthesis

  • Route1

    References

    • Chen, Chen; Wu, Dongpei; Guo, Zhiqiang; Xie, Qiu; Reinhart, Greg J.; Madan, Ajay; Wen, Jenny; Chen, Takung; Huang, Charles Q.; Chen, Mi; Chen, Yongsheng; Tucci, Fabio C.; Rowbottom, Martin; Pontillo, Joseph; Zhu, Yun-Fei; Wade, Warren; Saunders, John; Bozigian, Haig; Struthers, R. Scott Journal of Medicinal Chemistry, 2008 , vol. 51, # 23 p. 7478 - 7485

Safety Information

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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

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   2.0128
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   2

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