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CS-W001157 4
Total: USD 88.00

4-Hydroxy-3-nitrobenzonitrile

  • CAS No. 3272-08-0

  • Cat. No. CS-W008477
  • Purity≥98%
  • MDL No.MFCD00070775

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

4-Hydroxy-3-nitrobenzonitrile|CS-W008477

Structure of 3272-08-0

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General Information

  • CAS No. 3272-08-0
  • Cat. No. CS-W008477
  • Purity ≥98%
  • MDL No. MFCD00070775
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄N₂O₃
  • Molecular Weight 164.12
  • Synonym(s) 4-cyano-2-nitrophenolate
  • SMILES N#CC1=CC=C(O)C([N+]([O-])=O)=C1

Description

4-Hydroxy-3-nitrobenzonitrile is one of the main photoproduct formed during hotolytic destruction of herbicide bromoxynil.4-Hydroxy-3-nitrobenzonitrile may be used in the synthesis of:3-azido-4-methoxybenzonitrile4-methoxy-3-nitrobenzonitrileethyl [2,2-dimethyl-6-(2-thiazolin-2-yl)-4H-l,4-benzoxazin-3-one-4-yl]butyrate

Synthesis

  • Route1
    • 4-Cyanophenol Febuxostat Impurity|CS-0213981
      767-00-0
    • ~95%
    • In-stock
      4-Hydroxy-3-nitrobenzonitrile|CS-W008477
      3272-08-0

    References

    • Chehardoli, Gholamabbas; Zolfigol, Mohammad Ali; Azimi, Seyedeh Bahareh; Alizadeh, Ebadollah Chinese Chemical Letters, 2011 , vol. 22, # 7 p. 827 - 830
  • Route2
    • 4-Chloro-3-nitrobenzonitrile Alectinib Impurity|CS-0204133
      939-80-0
    • ~49%
    • In-stock
      4-Hydroxy-3-nitrobenzonitrile|CS-W008477
      3272-08-0

    References

    • Chen, Guoshu; Chan, Albert S.C.; Kwong, Fuk Yee Tetrahedron Letters, 2007 , vol. 48, # 3 p. 473 - 476
  • Route3

    References

    • Rokade, Balaji V.; Prabhu, Kandikere Ramaiah Journal of Organic Chemistry, 2012 , vol. 77, # 12 p. 5364 - 5370

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+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   87.16
  • LogP   1.17208
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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