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CS-W001157 4
Total: USD 88.00

1-(4-Methyl-3-nitrophenyl)methanamine

  • CAS No. 623155-53-3

  • Cat. No. CS-0246873
  • Molecule weight166.18
  • Purity95+%
  • MDL No.None

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

1-(4-Methyl-3-nitrophenyl)methanamine|CS-0246873

Structure of 623155-53-3

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General Information

  • CAS No. 623155-53-3
  • Cat. No. CS-0246873
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀N₂O₂
  • Molecular Weight 166.18
  • Synonym(s) (4-Methyl-3-nitrophenyl)methanamine
  • SMILES CC1=C(C=C(C=C1)CN)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      101207-48-1
    • ~87%
    • 1-(4-Methyl-3-nitrophenyl)methanamine|CS-0246873
      623155-53-3

    References

    • BRISTOL-MYERS SQUIBB COMPANY Patent: WO2003/90912 A1, 2003 ; Location in patent: Page/Page column 125 ; WO 03/090912 A1
  • Route2
    • null|null
      88-72-2
    • ~%
    • 1-(4-Methyl-3-nitrophenyl)methanamine|CS-0246873
      623155-53-3

    References

    • Sekiya,M. et al. Chemical and Pharmaceutical Bulletin, 1964 , vol. 12, p. 440 - 444

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   69.16
  • LogP   1.36192
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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