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CS-W001157 4
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2-Amino-1-(3-nitrophenyl)ethan-1-one hydrochloride

  • CAS No. 36765-84-1

  • Cat. No. CS-0072529
  • Molecule weightNone
  • Purity≥98%
  • MDL No.MFCD00051997

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

2-Amino-1-(3-nitrophenyl)ethan-1-one hydrochloride|CS-0072529

Structure of 36765-84-1

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General Information

  • CAS No. 36765-84-1
  • Cat. No. CS-0072529
  • Purity ≥98%
  • MDL No. MFCD00051997
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉ClN₂O₃
  • Molecular Weight None
  • Synonym(s) 3-Nitrophenacylamine hydrochloride
  • SMILES [O-][N+](C1=CC(C(CN)=O)=CC=C1)=O.Cl

Synthesis

  • Route1

    References

    • Imperial Chemical Industries PLC Patent: US4423045 A1, 1983 ;
  • Route2
    • 1-(2-(3-Nitrophenyl)-2-oxoethyl)-1,3,5,7-tetraazaadamantan-1-ium bromide|CS-0589604
      7478-10-6
    • ~90%
    • 2-Amino-1-(3-nitrophenyl)ethan-1-one hydrochloride|CS-0072529
      36765-84-1

    References

    • Hill, Richard K.; Nugara, Peter N.; Holt, Elizabeth M.; Holland, Kathleen P. Journal of Organic Chemistry, 1992 , vol. 57, # 3 p. 1045 - 1047
  • Route3

    References

    • Blau, Lorena; Menegon, Renato Farina; Trossini, Gustavo H. G.; Molino, Joao Vitor Dutra; Vital, Drielli Gomes; Cicarelli, Regina Maria Barretto; Passerini, Gabriela Duo; Bosquesi, Priscila Longhin; Chin, Chung Man European Journal of Medicinal Chemistry, 2013 , vol. 67, p. 142 - 151

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314-H335
Precautionary Statements : P260-P264-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P363-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   86.23
  • LogP   1.158
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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