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CS-W001157 4
Total: USD 88.00

3-Amino-4-nitrobenzonitrile

  • CAS No. 99512-10-4

  • Cat. No. CS-W006089
  • Purity≥95%
  • MDL No.MFCD18389919

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

3-Amino-4-nitrobenzonitrile|CS-W006089

Structure of 99512-10-4

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General Information

  • CAS No. 99512-10-4
  • Cat. No. CS-W006089
  • Purity ≥95%
  • MDL No. MFCD18389919
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅N₃O₂
  • Molecular Weight 163.13
  • Synonym(s) None
  • SMILES N#CC1=CC=C([N+]([O-])=O)C(N)=C1

Synthesis

  • Route1

    References

    • ABBOTT LABORATORIES Patent: WO2004/76424 A1, 2004 ; Location in patent: Page 268 ; WO 2004/076424 A1
  • Route2
    • In-stock
      5-Bromo-2-nitroaniline|CS-W003590
      5228-61-5
    • null|null
      557-21-1
    • ~63%
    • In-stock
      3-Amino-4-nitrobenzonitrile|CS-W006089
      99512-10-4

    References

    • METHYLGENE, INC. Patent: WO2005/30704 A1, 2005 ; Location in patent: Page/Page column 243 ;
  • Route3
    • null|null
      36389-13-6
    • ~10%
    • In-stock
      4-Amino-3-nitrobenzonitrile|CS-M0344
      6393-40-4
    • In-stock
      3-Amino-4-nitrobenzonitrile|CS-W006089
      99512-10-4

    References

    • Farmaco, , vol. 56, # 10 p. 799 - 802

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H311-H317
Precautionary Statements : P261-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   92.95
  • LogP   1.04868
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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