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CS-W001157 4
Total: USD 88.00

2-(4-Bromobutyl)-5-nitroisoindoline-1,3-dione

  • CAS No. 125207-39-8

  • Cat. No. CS-0525754
  • Molecule weight327.13
  • Purity≥98%
  • MDL No.MFCD01313849

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

2-(4-Bromobutyl)-5-nitroisoindoline-1,3-dione|CS-0525754

Structure of 125207-39-8

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General Information

  • CAS No. 125207-39-8
  • Cat. No. CS-0525754
  • Purity ≥98%
  • MDL No. MFCD01313849
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁BrN₂O₄
  • Molecular Weight 327.13
  • Synonym(s) 2-(4-Bromobutyl)-5-nitro-1H-isoindole-1,3(2H)-dione
  • SMILES O=C(N1CCCCBr)C2=CC=C([N+]([O-])=O)C=C2C1=O

Synthesis

  • Route1

    References

    • Takeda Chemical Industries, Ltd. Patent: US5025033 A1, 1991 ; US 5025033 A
  • Route2

    References

    • Bian, Xiaoli; Wang, Qian; Ke, Changhu; Zhao, Guilan; Li, Yiping Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 7 p. 2022 - 2026
  • Route3
    • null|null
      136918-14-4
    • ~%
    • 2-(4-Bromobutyl)-5-nitroisoindoline-1,3-dione|CS-0525754
      125207-39-8

    References

    • Bian, Xiaoli; Wang, Qian; Ke, Changhu; Zhao, Guilan; Li, Yiping Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 7 p. 2022 - 2026

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331
Precautionary Statements : P280-P361+P364

Quality Control

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Computational Chemistry Data

  • TPSA   80.52
  • LogP   2.3659
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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