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CS-W001157 4
Total: USD 88.00

4-Chloro-N-(prop-2-yn-1-yl)aniline

  • CAS No. 22774-67-0

  • Cat. No. CS-0094915
  • Molecule weight165.62
  • Purity≥97%
  • MDL No.MFCD01930837

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

4-Chloro-N-(prop-2-yn-1-yl)aniline|CS-0094915

Structure of 22774-67-0

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General Information

  • CAS No. 22774-67-0
  • Cat. No. CS-0094915
  • Purity ≥97%
  • MDL No. MFCD01930837
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈ClN
  • Molecular Weight 165.62
  • Synonym(s) 4-chloro-N-prop-2-ynylaniline
  • SMILES C#CCNC1=CC=C(Cl)C=C1

Synthesis

  • Route1
    • null|null
      106-47-8
    • null|null
      106-96-7
    • ~99%
    • 4-Chloro-N-(prop-2-yn-1-yl)aniline|CS-0094915
      22774-67-0

    References

    • Abdulganeeva, S. A.; Erzhanov, K. B. Journal of Organic Chemistry USSR (English Translation), 1989 , vol. 25, # 3.1 p. 466 - 469 Zhurnal Organicheskoi Khimii, 1989 , vol. 25, # 3 p. 521 - 524
  • Route2
    • null|null
      106-47-8
    • null|null
      106-96-7
    • ~14%
    • 4-Chloro-N-(prop-2-yn-1-yl)aniline|CS-0094915
      22774-67-0
    • null|null
      22774-35-2

    References

    • Abdulganeeva, S. A.; Erzhanov, K. B. Journal of Organic Chemistry USSR (English Translation), 1989 , vol. 25, # 3.1 p. 466 - 469 Zhurnal Organicheskoi Khimii, 1989 , vol. 25, # 3 p. 521 - 524
  • Route3
    • N-(4-Chlorophenyl)-2,2,2-trifluoroacetamide|CS-0294154
      404-25-1
    • null|null
      106-96-7
    • ~%
    • 4-Chloro-N-(prop-2-yn-1-yl)aniline|CS-0094915
      22774-67-0

    References

    • Jones, Terence R.; Varney, Michael D.; Webber, Stephen E.; Lewis, Kathleen K.; Marzoni, Gifford P.; Palmer, Cindy L.; Kathardekar, Vinit; Welsh, Katharine M.; Webber, Stephanie; Matthews, David A.; Appelt, Krzysztof; Smith, Ward W.; Janson, Cheryl A.; Villafranca; Bacquet, Russell J.; Howland, Eleanor F.; Booth, Carol L. J.; Herrmann, Steven M.; Ward, Robert W.; White, Jennifer; Moomaw, Ellen W.; Bartlett, Charlotte A.; Morse, Cathy A. Journal of Medicinal Chemistry, 1996 , vol. 39, # 4 p. 904 - 917

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-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   12.03
  • LogP   2.3851
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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