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2-Amino-3-hydroxybenzonitrile

  • CAS No. 211172-52-0

  • Cat. No. CS-0002186
  • Purity≥96%
  • MDL No.MFCD11616259

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

2-Amino-3-hydroxybenzonitrile|CS-0002186

Structure of 211172-52-0

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General Information

  • CAS No. 211172-52-0
  • Cat. No. CS-0002186
  • Purity ≥96%
  • MDL No. MFCD11616259
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆N₂O
  • Molecular Weight 134.14
  • Synonym(s) 2-AMino-3-hydroxy-benzonitrile
  • SMILES N#CC1=CC=CC(O)=C1N

Synthesis

  • Route1

    References

    • Widdowson, Katherine L.; Elliott, John D.; Veber, Daniel F.; Nie, Hong; Rutledge, Melvin C.; McCleland, Brent W.; Xiang, Jia-Ning; Jurewicz, Anthony J.; Hertzberg, Robert P.; Foley, James J.; Griswold, Don E.; Martin, Lenox; Lee, Judithann M.; White, John R.; Sarau, Henry M. Journal of Medicinal Chemistry, 2004 , vol. 47, # 6 p. 1319 - 1321
  • Route2

    References

    • MERCK SHARP and DOHME CORP.; MCCOMAS, Casey Cameron; LIVERTON, Nigel J.; SOLL, Richard; LI, Peng; PENG, Xuanjia; WU, Hao Patent: WO2011/106986 A1, 2011 ; WO 2011/106986 A1

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   70.04
  • LogP   0.84608
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   0

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