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CS-W001157 4
Total: USD 88.00

2-Amino-3-bromo-5-nitrobenzonitrile

  • CAS No. 17601-94-4

  • Cat. No. CS-0204373
  • Molecule weight242.03
  • Purity≥97%
  • MDL No.MFCD00054185

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

2-Amino-3-bromo-5-nitrobenzonitrile|CS-0204373

Structure of 17601-94-4

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General Information

  • CAS No. 17601-94-4
  • Cat. No. CS-0204373
  • Purity ≥97%
  • MDL No. MFCD00054185
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrN₃O₂
  • Molecular Weight 242.03
  • Synonym(s) 2-isothiocyanato-2,4,4-trimethylpentane
  • SMILES N#CC1=CC([N+]([O-])=O)=CC(Br)=C1N

Synthesis

  • Route1
    • null|null
      1192690-66-6
    • ~27%
    • null|null
      1192690-99-5
    • In-stock
      2-Amino-3-bromo-5-nitrobenzonitrile|CS-0204373
      17601-94-4

    References

    • Tetrahedron, , vol. 65, # 40 p. 8428 - 8433
  • Route2
    • null|null
      1192690-66-6
    • null|null
      603-35-0
    • ~42%
    • null|null
      1192690-99-5
    • null|null
      1192691-08-9
    • In-stock
      2-Amino-3-bromo-5-nitrobenzonitrile|CS-0204373
      17601-94-4

    References

    • Tetrahedron, , vol. 65, # 40 p. 8428 - 8433
  • Route3
    • null|null
      1817-73-8
    • ~%
    • In-stock
      2-Amino-3-bromo-5-nitrobenzonitrile|CS-0204373
      17601-94-4

    References

    • US4212647 A1, ;

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+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   92.95
  • LogP   1.81118
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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