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N-Ethyl 5-bromo-2-nitroaniline

  • CAS No. 813448-98-5

  • Cat. No. CS-0211282
  • Molecule weight245.07
  • Purity≥97%
  • MDL No.MFCD09862514

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

N-Ethyl 5-bromo-2-nitroaniline|CS-0211282

Structure of 813448-98-5

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General Information

  • CAS No. 813448-98-5
  • Cat. No. CS-0211282
  • Purity ≥97%
  • MDL No. MFCD09862514
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉BrN₂O₂
  • Molecular Weight 245.07
  • Synonym(s) 5-Bromo-N-ethyl-2-nitroaniline
  • SMILES CCNC1=C(C=CC(=C1)Br)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • NOVARTIS AG; CARAVATTI, Giorgio; FAIRHURST, Robin Alec; FURET, Pascal; GUAGNANO, Vito; IMBACH, Patricia Patent: WO2010/29082 A1, 2010 ; Location in patent: Page/Page column 70 ; WO 2010/029082 A1
  • Route2

    References

    • Novartis AG Patent: US2009/163469 A1, 2009 ; Location in patent: Page/Page column 57 ; US 20090163469 A1
  • Route3

    References

    • Blanksma Recueil des Travaux Chimiques des Pays-Bas, 1902 , vol. 21, p. 258 Recueil des Travaux Chimiques des Pays-Bas, 1908 , vol. 27, p. 35 Anm. 2

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   55.17
  • LogP   2.7891
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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