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CS-W001157 4
Total: USD 88.00

2-((4-Chlorophenyl)thio)-6-fluorobenzonitrile

  • CAS No. 175204-12-3

  • Cat. No. CS-0336815
  • Purity≥98%
  • MDL No.None

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

2-((4-Chlorophenyl)thio)-6-fluorobenzonitrile|CS-0336815

Structure of 175204-12-3

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General Information

  • CAS No. 175204-12-3
  • Cat. No. CS-0336815
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₇ClFNS
  • Molecular Weight 263.72
  • Synonym(s) 2-Fluoro-6-(4-chlorophenylthio)benzonitrile
  • SMILES C1=CC(=C(C#N)C(=C1)SC2=CC=C(C=C2)Cl)F

Synthesis

  • Route1

    References

    • Chan; Hong; Hunter III; Orr; Cowan; Sherman; Sparks; Reitter; Andrews III; Hazen; St. Clair; Boone; Ferris; Creech; Roberts; Short; Weaver; Ott; Ren; Hopkins; Stuart; Stammers Journal of Medicinal Chemistry, 2001 , vol. 44, # 12 p. 1866 - 1882

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3276
Class : 6.1
Packing Group : Ⅰ
Hazard Statements : H301-H311-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   4.50198
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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