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CS-W001157 4
Total: USD 88.00

2-(4-Bromobenzyl)isoindoline-1,3-dione

  • CAS No. 153171-22-3

  • Cat. No. CS-0186411
  • Molecule weight316.15
  • Purity≥95%
  • MDL No.None

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

2-(4-Bromobenzyl)isoindoline-1,3-dione|CS-0186411

Structure of 153171-22-3

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General Information

  • CAS No. 153171-22-3
  • Cat. No. CS-0186411
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₀BrNO₂
  • Molecular Weight 316.15
  • Synonym(s) 2-(4-bromobenzyl)-1H-isoindole-1,3(2H)-dione
  • SMILES C1=CC=C2C(=C1)C(=O)N(CC3=CC=C(C=C3)Br)C2=O

Synthesis

  • Route1

    References

    • Terent'ev, Alexander O.; Krylov, Igor B.; Sharipov, Mikhail Y.; Kazanskaya, Zoya M.; Nikishin, Gennady I. Tetrahedron, 2012 , vol. 68, # 50 p. 10263 - 10271,9
  • Route2

    References

    • Bayer Corporation Patent: US6165800 A1, 2000 ;
  • Route3

    References

    • Hoertner, Simone R.; Ritschel, Tina; Stengl, Bernhard; Kramer, Christian; Schweizer, W. Bernd; Wagner, Bjoern; Kansy, Manfred; Klebe, Gerhard; Diederich, Francois Angewandte Chemie - International Edition, 2007 , vol. 46, # 43 p. 8266 - 8269

Safety Information

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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

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Computational Chemistry Data

  • TPSA   37.38
  • LogP   3.2453
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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