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CS-W001157 4
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2-Amino-5-cyanobenzoic acid

  • CAS No. 99767-45-0

  • Cat. No. CS-W005229
  • Purity≥97%
  • MDL No.MFCD20485816

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

2-Amino-5-cyanobenzoic acid|CS-W005229

Structure of 99767-45-0

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General Information

  • CAS No. 99767-45-0
  • Cat. No. CS-W005229
  • Purity ≥97%
  • MDL No. MFCD20485816
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₂O₂
  • Molecular Weight 162.15
  • Synonym(s) 6-amino-3-cyanobenzoic acid
  • SMILES NC1=C(C=C(C=C1)C#N)C(O)=O

Synthesis

  • Route1

    References

    • PHARMACIA and UPJOHN COMPANY Patent: WO2004/18428 A1, 2004 ; Location in patent: Page 347 ;
  • Route2

    References

    • UNIVERSITY OF KANSAS; UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC.; SOUTHERN RESEARCH INSTITUTE; GOLDEN, Jennifer; AUBE, Jeffrey; CHUNG, Donghoon; SCHROEDER, Chad; YAO, Tuanli; WHITE, E. Lucile; TOWER, Nichole A. Patent: WO2014/93869 A1, 2014 ;
  • Route3
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      615-57-6
    • ~%
    • In-stock
      2-Amino-5-cyanobenzoic acid|CS-W005229
      99767-45-0

    References

    • Crosby, John; Moilliet, Jock; Parratt, Julian S.; Turner, Nicolas J. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1994 , # 13 p. 1679 - 1688

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H319-H335-H360
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   87.11
  • LogP   0.83868
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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