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CS-W001157 4
Total: USD 88.00

3-Nitrobenzonitrile

  • CAS No. 619-24-9

  • Cat. No. CS-0059137
  • Purity≥97%
  • MDL No.None

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

3-Nitrobenzonitrile|CS-0059137

Structure of 619-24-9

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General Information

  • CAS No. 619-24-9
  • Cat. No. CS-0059137
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄N₂O₂
  • Molecular Weight 148.12
  • Synonym(s) 1-Cyano-3-nitrobenzene; 3-Nitrobenzonitrile
  • SMILES N#CC1=CC=CC([N+]([O-])=O)=C1

Description

3-Nitrobenzonitrile was employed as matrix for matrix assisted ionization vacuum method for mass spectrometery.

Synthesis

  • Route1
    • 3-Nitrobenzaldehyde Erlotinib Impurity|CS-0204123
      99-61-6
    • ~98%
    • In-stock
      3-Nitrobenzonitrile|CS-0059137
      619-24-9

    References

    • Chakraborti; Kaur; Roy Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2001 , vol. 40, # 10 p. 1000 - 1006
  • Route2
    • 2-(3-Nitrophenyl)oxirane|CS-0252822
      20697-05-6
    • ~84%
    • In-stock
      3-Nitrobenzonitrile|CS-0059137
      619-24-9

    References

    • Deshmukh, Swapnil S.; Huddar, Sameerana N.; Jadhav, Ravindra R.; Akamanchi, Krishnacharya G. Tetrahedron Letters, 2011 , vol. 52, # 35 p. 4533 - 4536
  • Route3
    • 3-Nitrobenzaldoxime|CS-0437847
      3431-62-7
    • ~97%
    • In-stock
      3-Nitrobenzonitrile|CS-0059137
      619-24-9

    References

    • Arrieta, Ana; Palomo, Claudio Synthesis, 1983 , # 6 p. 472 - 474

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
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.93
  • LogP   1.46648
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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