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CS-W001157 4
Total: USD 88.00

2-[(4-nitrophenyl)sulfanyl]ethan-1-ol

  • CAS No. 13287-76-8

  • Cat. No. CS-0233177
  • Purity95+%
  • MDL No.None

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

2-[(4-nitrophenyl)sulfanyl]ethan-1-ol|CS-0233177

Structure of 13287-76-8

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General Information

  • CAS No. 13287-76-8
  • Cat. No. CS-0233177
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₃S
  • Molecular Weight 199.23
  • Synonym(s) Ethanol, 2-[(4-nitrophenyl)thio]-
  • SMILES C1=C(C=CC(=C1)SCCO)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Alonso, Diego A.; Najera, Carmen; Varea, Montserrat Synthesis, 2003 , # 2 p. 277 - 287
  • Route2
    • null|null
      100-00-5
    • null|null
      60-24-2
    • ~99%
    • 2-[(4-nitrophenyl)sulfanyl]ethan-1-ol|CS-0233177
      13287-76-8

    References

    • Choi, Jin Seok; Lee, Hwa-Sun; Lee, Younjoo; Jeong, Nakcheol; Kim, Hack-Joo; Kim, Young-Deug; Han, Hogyu Tetrahedron Letters, 2002 , vol. 43, # 24 p. 4295 - 4300
  • Route3

    References

    • Mag, Matthias; Muth, Jochen; Jahn, Kerstin; Peyman, Anusch; Kretzschmar, Gerhard; Engels, Joachim W.; Uhlmann, Eugen Bioorganic and Medicinal Chemistry, 1997 , vol. 5, # 12 p. 2213 - 2220

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   63.37
  • LogP   1.6792
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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Key Words

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