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CS-W001157 4
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2-Aminobenzonitrile

  • CAS No. 1885-29-6

  • Cat. No. CS-W013598
  • Molecule weight118.14
  • Purity≥98%
  • MDL No.MFCD00007631

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

2-Aminobenzonitrile|CS-W013598

Structure of 1885-29-6

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General Information

  • CAS No. 1885-29-6
  • Cat. No. CS-W013598
  • Purity ≥98%
  • MDL No. MFCD00007631
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆N₂
  • Molecular Weight 118.14
  • Synonym(s) None
  • SMILES N#CC1=C(N)C=CC=C1

Description

2-Aminobenzonitrile features a dual functional group architecture with an amino moiety ortho to a nitrile group, enabling direct integration into heterocyclic scaffolds. This arrangement supports efficient coupling reactions and facilitates access to bioactive compounds in medicinal chemistry. The molecule exhibits enhanced solubility in polar solvents and stability under standard bench conditions.

Synthesis

  • Route1

    References

    • Quinn, John F.; Bryant, Cole E.; Golden, Kathryn C.; Gregg, Brian T. Tetrahedron Letters, 2010 , vol. 51, # 5 p. 786 - 789
  • Route2

    References

    • Srivastava, Ananya; Jain, Nidhi Tetrahedron, 2013 , vol. 69, # 25 p. 5092 - 5097
  • Route3
    • null|null
      3398-07-0
    • ~93%
    • In-stock
      2-Aminobenzonitrile|CS-W013598
      1885-29-6

    References

    • Yadav, Arvind K.; Srivastava, Vishnu P.; Yadav, Lal Dhar S. RSC Advances, 2014 , vol. 4, # 8 p. 4181 - 4186

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-H317-H319-H335
Precautionary Statements : P261-P264-P270-P271-P272-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   49.81
  • LogP   1.14048
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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