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CS-W001157 4
Total: USD 88.00

1-Chloro-3,5-dinitrobenzene

  • CAS No. 618-86-0

  • Cat. No. CS-0326859
  • Purity≥95%
  • MDL No.None

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

1-Chloro-3,5-dinitrobenzene|CS-0326859

Structure of 618-86-0

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General Information

  • CAS No. 618-86-0
  • Cat. No. CS-0326859
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃ClN₂O₄
  • Molecular Weight 202.55
  • Synonym(s) 5-chloro-1,3-dinitrobenzene
  • SMILES C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl

Synthesis

  • Route1
    • null|null
      618-87-1
    • ~79%
    • 1-Chloro-3,5-dinitrobenzene|CS-0326859
      618-86-0

    References

    • Boehringer Ingelheim Pharmaceuticals, Inc. Patent: US6353013 B1, 2002 ; Location in patent: Page column 28 ;
  • Route2
    • null|null
      99-35-4
    • ~20%
    • 1-Chloro-3,5-dinitrobenzene|CS-0326859
      618-86-0

    References

    • Lee, Woong Hee; Park, Gyoo Soon; Kim, Seok Chan Bulletin of the Korean Chemical Society, 2011 , vol. 32, # 8 p. 2820 - 2822
  • Route3
    • null|null
      99-65-0
    • ~50%
    • 1-Chloro-3,5-dinitrobenzene|CS-0326859
      618-86-0

    References

    • Mendona, Gabriela Fonseca; Senra, Monica Rufino; Esteves, Pierre M.; De Mattos, Marcio C.S. Applied Catalysis A: General, 2011 , vol. 401, # 1-2 p. 176 - 181

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08,GHS09
Signal Word : Danger
UN#: 3441
Class : 6.1
Packing Group : Ⅱ
Hazard Statements : H301-H311-H331-H373-H410
Precautionary Statements : P260-P273-P280-P391

Quality Control

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Computational Chemistry Data

  • TPSA   86.28
  • LogP   2.1564
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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