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CS-W001157 4
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2-Chloro-4-nitro-1-(3-(trifluoromethyl)phenoxy)benzene

  • CAS No. 40718-13-6

  • Cat. No. CS-M1568
  • Molecule weight317.65
  • Purity≥98%
  • MDL No.None

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

2-Chloro-4-nitro-1-(3-(trifluoromethyl)phenoxy)benzene|CS-M1568

Structure of 40718-13-6

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General Information

  • CAS No. 40718-13-6
  • Cat. No. CS-M1568
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₇ClF₃NO₃
  • Molecular Weight 317.65
  • Synonym(s) Benzene, 2-chloro-4-nitro-1-[3-(trifluoromethyl)phenoxy]-
  • SMILES ClC1=CC([N+]([O-])=O)=CC=C1OC2=CC=CC(C(F)(F)F)=C2

Synthesis

  • Route1

    References

    • Ishikawa, Tomoyasu; Seto, Masaki; Banno, Hiroshi; Kawakita, Youichi; Oorui, Mami; Taniguchi, Takahiko; Ohta, Yoshikazu; Tamura, Toshiya; Nakayama, Akiko; Miki, Hiroshi; Kamiguchi, Hidenori; Tanaka, Toshimasa; Habuka, Noriyuki; Sogabe, Satoshi; Yano, Jason; Aertgeerts, Kathleen; Kamiyama, Keiji Journal of Medicinal Chemistry, 2011 , vol. 54, # 23 p. 8030 - 8050

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.37
  • LogP   5.0593
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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