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4-(Methylamino)-3-nitrobenzonitrile

  • CAS No. 64910-45-8

  • Cat. No. CS-0208609
  • Molecule weight177.16
  • Purity≥98%
  • MDL No.MFCD03551829

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

4-(Methylamino)-3-nitrobenzonitrile|CS-0208609

Structure of 64910-45-8

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General Information

  • CAS No. 64910-45-8
  • Cat. No. CS-0208609
  • Purity ≥98%
  • MDL No. MFCD03551829
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇N₃O₂
  • Molecular Weight 177.16
  • Synonym(s) 4-Methylamino-3-nitro-benzonitrile
  • SMILES CNC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Martin, Richard; Flatt, Brenton Todd; Kahl, Jeffrey Dean; Wang, Tie-Lin Patent: US2003/212111 A1, 2003 ; US 20030212111 A1
  • Route2
    • 4-Chloro-3-nitrobenzonitrile Alectinib Impurity|CS-0204133
      939-80-0
    • null|null
      74-89-5
    • ~83%
    • 4-(Methylamino)-3-nitrobenzonitrile|CS-0208609
      64910-45-8

    References

    • Weidner-Wells, Michele A.; Ohemeng, Kwasi A.; Nguyen, Van N.; Fraga-Spano, Stephanie; Macielag, Mark J.; Werblood, Harvey M.; Foleno, Barbara D.; Webb, Glenda C.; Barrett, John F.; Hlasta, Dennis J. Bioorganic and Medicinal Chemistry Letters, 2001 , vol. 11, # 12 p. 1545 - 1548
  • Route3

    References

    • Voskresensky; Makosza Synthetic Communications, 2000 , vol. 30, # 19 p. 3523 - 3526

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   78.96
  • LogP   1.50818
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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