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CS-W001157 4
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(4-Nitrophenyl)methanamine hydrochloride

  • CAS No. 18600-42-5

  • Cat. No. CS-0043155
  • Purity≥97%
  • MDL No.MFCD00012863

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

(4-Nitrophenyl)methanamine hydrochloride|CS-0043155

Structure of 18600-42-5

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General Information

  • CAS No. 18600-42-5
  • Cat. No. CS-0043155
  • Purity ≥97%
  • MDL No. MFCD00012863
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉ClN₂O₂
  • Molecular Weight 188.61
  • Synonym(s) 4-nitrobenzylammonium HCL
  • SMILES NCC1=CC=C([N+]([O-])=O)C=C1.[H]Cl

Description

4-Nitrobenzylamine hydrochloride was used in chemical modification of graphite powder and multiwalled carbon nanotubes. It was also used in the preparation of 2-fluoro-6-(4-nitrohenzylamino)purine.

Application

(4-Nitrophenyl)methanamine hydrochloride serves as a versatile building block in medicinal chemistry and materials science, enabling direct introduction of a nitroaromatic amine functionality. Its bench-stable form facilitates straightforward handling and purification, while the ortho-directing nitro group supports subsequent transformations such as reduction to aniline derivatives or Suzuki coupling. Functions effectively in standard amide coupling and electrophilic substitution protocols.

Synthesis

  • Route1

    References

    • Laval, Stephane; Dayoub, Wissam; Pehlivan, Leyla; Metay, Estelle; Favre-Reguillon, Alain; Delbrayelle, Dominique; Mignani, Gerard; Lemaire, Marc Tetrahedron, 2014 , vol. 70, # 4 p. 975 - 983
  • Route2
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      93734-90-8
    • ~%
    • In-stock
      (4-Nitrophenyl)methanamine hydrochloride|CS-0043155
      18600-42-5

    References

    • Journal fuer Praktische Chemie (Leipzig), , vol. <2> 89, p. 500,512 Journal fuer Praktische Chemie (Leipzig), , vol. <2> 91, p. 7
  • Route3
    • null|null
      100-14-1
    • ~%
    • In-stock
      (4-Nitrophenyl)methanamine hydrochloride|CS-0043155
      18600-42-5

    References

    • Recueil des Travaux Chimiques des Pays-Bas, , vol. 111, # 1 p. 22 - 28

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   69.16
  • LogP   1.4753
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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