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CS-W001157 4
Total: USD 88.00

2-Bromo-1-ethyl-4-nitrobenzene

  • CAS No. 52121-34-3

  • Cat. No. CS-0608307
  • Purity≥98%
  • MDL No.MFCD25964125

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

2-Bromo-1-ethyl-4-nitrobenzene|CS-0608307

Structure of 52121-34-3

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General Information

  • CAS No. 52121-34-3
  • Cat. No. CS-0608307
  • Purity ≥98%
  • MDL No. MFCD25964125
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BrNO₂
  • Molecular Weight 230.06
  • Synonym(s) 3-bromo-4-ethylnitrobenzene
  • SMILES O=[N+](C1=CC=C(CC)C(Br)=C1)[O-]

Synthesis

  • Route1
    • null|null
      100-12-9
    • ~95%
    • 2-Bromo-1-ethyl-4-nitrobenzene|CS-0608307
      52121-34-3

    References

    • GLAXOSMITHKLINE LLC; BROWN, Kristin, K.; CHAI, Deping; DODSON, Christopher, S.; DUFFY, Kevin, J.; SHAW, Antony, Nicholas Patent: WO2013/96151 A1, 2013 ; Location in patent: Page/Page column 91 ;
  • Route2

    References

    • Cai, Sui Xiong; Kher, Sunil M.; Zhou, Zhang-Lin; Ilyin, Victor; Espitia, Stephen A.; Tran, Minhtam; Hawkinson, Jon E.; Woodward, Richard M.; Weber, Eckard; Keana, John F. W. Journal of Medicinal Chemistry, 1997 , vol. 40, # 5 p. 730 - 738

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.9197
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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