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CS-W001157 4
Total: USD 88.00

N-Benzyl-3-fluoroaniline

  • CAS No. 123330-53-0

  • Cat. No. CS-0270021
  • Purity≥98%
  • MDL No.None

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

N-Benzyl-3-fluoroaniline|CS-0270021

Structure of 123330-53-0

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General Information

  • CAS No. 123330-53-0
  • Cat. No. CS-0270021
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₂FN
  • Molecular Weight 201.24
  • Synonym(s) Benzenemethanamine, N-(3-fluorophenyl)-
  • SMILES C1=CC=C(C=C1)CNC2=CC=CC(=C2)F

Synthesis

  • Route1
    • null|null
      164362-52-1
    • ~68%
    • N-Benzyl-3-fluoroaniline|CS-0270021
      123330-53-0

    References

    • Mhadgut, Shilpa C.; Palaniappan, Kumaranand; Thimmaiah, Muralidhara; Hackney, Stephen A.; Toeroek, Bela; Liu, Jian Chemical Communications, 2005 , # 25 p. 3207 - 3209
  • Route2

    References

    • Ou, Lili; Shao, Jiaan; Zhang, Guolin; Yu, Yongping Tetrahedron Letters, 2011 , vol. 52, # 13 p. 1430 - 1431
  • Route3

    References

    • Ma, Dawei; Cai, Qian; Zhang, Hui Organic Letters, 2003 , vol. 5, # 14 p. 2453 - 2455

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   12.03
  • LogP   3.4378
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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