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CS-W001157 4
Total: USD 88.00

(S)-1-(4-nitrophenyl)ethan-1-amine

  • CAS No. 4187-53-5

  • Cat. No. CS-0000298
  • Purity≥98%
  • MDL No.MFCD00137390

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

(S)-1-(4-nitrophenyl)ethan-1-amine|CS-0000298

Structure of 4187-53-5

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General Information

  • CAS No. 4187-53-5
  • Cat. No. CS-0000298
  • Purity ≥98%
  • MDL No. MFCD00137390
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀N₂O₂
  • Molecular Weight 166.18
  • Synonym(s) Benzenemethanamine, Α-Methyl-4-Nitro-, (Αs)-
  • SMILES C[C@H](N)C1=CC=C(C=C1)[N+]([O-])=O

Synthesis

  • Route1
    • null|null
      80965-22-6
    • ~86%
    • (S)-1-(4-nitrophenyl)ethan-1-amine|CS-0000298
      4187-53-5

    References

    • Chu, Yunbo; Shan, Zixing; Liu, Dejun; Sun, Nannan Journal of Organic Chemistry, 2006 , vol. 71, # 10 p. 3998 - 4001
  • Route2
    • p-Nitrophenyl methyl ketone Clenbuterol  Impurity|CS-0229063
      100-19-6
    • ~10%
    • (S)-1-(4-nitrophenyl)ethan-1-amine|CS-0000298
      4187-53-5

    References

    • Cassimjee, Karim Engelmark; Branneby, Cecilia; Abedi, Vahak; Wells, Andrew; Berglund, Per Chemical Communications, 2010 , vol. 46, # 30 p. 5569 - 5571
  • Route3
    • null|null
      1434603-08-3
    • ~76%
    • (S)-1-(4-nitrophenyl)ethan-1-amine|CS-0000298
      4187-53-5
    • (S)-1-(4-nitrophenyl)ethan-1-amine|CS-0000298
      4187-53-5

    References

    • Ou, Wenhua; Espinosa, Sandraliz; Melendez, Hector J.; Farre, Silvia M.; Alvarez, Jaime L.; Torres, Valerie; Martinez, Ileanne; Santiago, Kiara M.; Ortiz-Marciales, Margarita Journal of Organic Chemistry, 2013 , vol. 78, # 11 p. 5314 - 5327

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   1.6145
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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