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CS-W001157 4
Total: USD 88.00

2-Chloro-6-hydroxybenzonitrile

  • CAS No. 89999-90-6

  • Cat. No. CS-0051935
  • Purity≥97%
  • MDL No.None

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

2-Chloro-6-hydroxybenzonitrile|CS-0051935

Structure of 89999-90-6

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General Information

  • CAS No. 89999-90-6
  • Cat. No. CS-0051935
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄ClNO
  • Molecular Weight 153.57
  • Synonym(s) benzonitrile, 2-chloro-6-hydroxy-
  • SMILES OC1=CC=CC(Cl)=C1C#N

Synthesis

  • Route1

    References

    • Marquis, Robert W.; Lago, Amparo M.; Callahan, James F.; Lee Trout, Robert E.; Gowen, Maxine; DelMar, Eric G.; Van Wagenen, Bradford C.; Logan, Sarah; Shimizu, Scott; Fox, John; Nemeth, Edward F.; Yang, Zheng; Roethke, Theresa; Smith, Brian R.; Ward, Keith W.; Lee, John; Keenan, Richard M.; Bhatnagar, Pradip Journal of Medicinal Chemistry, 2009 , vol. 52, # 13 p. 3982 - 3993
  • Route2
    • null|null
      92161-40-5
    • ~65%
    • In-stock
      2-Chloro-6-hydroxybenzonitrile|CS-0051935
      89999-90-6

    References

    • Jin, Qi; Nie, Hong; McCleland, Brent W.; Widdowson, Katherine L.; Palovich, Michael R.; Elliott, John D.; Goodman, Richard M.; Burman, Miriam; Sarau, Henry M.; Ward, Keith W.; Nord, Melanie; Orr, Bonnie M.; Gorycki, Peter D.; Busch-Petersen, Jakob Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 17 p. 4375 - 4378
  • Route3
    • null|null
      1056958-45-2
    • ~%
    • In-stock
      2-Chloro-6-hydroxybenzonitrile|CS-0051935
      89999-90-6

    References

    • Johansson, Henrik; Cailly, Thomas; Thomsen, Alex Rojas Bie; Braeuner-Osborne, Hans; Pedersen, Daniel Sejer Beilstein Journal of Organic Chemistry, 2013 , vol. 9, p. 1383 - 1387

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   44.02
  • LogP   1.91728
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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