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CS-W001157 4
Total: USD 88.00

Methyl 3-amino-4-chlorobenzoate

  • CAS No. 40872-87-5

  • Cat. No. CS-W016934
  • Purity≥96%
  • MDL No.MFCD03470533

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

Methyl 3-amino-4-chlorobenzoate|CS-W016934

Structure of 40872-87-5

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General Information

  • CAS No. 40872-87-5
  • Cat. No. CS-W016934
  • Purity ≥96%
  • MDL No. MFCD03470533
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈ClNO₂
  • Molecular Weight 185.61
  • Synonym(s) 3-amino-4-chlorobenzoic acid methylester
  • SMILES O=C(OC)C1=CC=C(Cl)C(N)=C1

Synthesis

  • Route1

    References

    • Merck and Co., Inc. Patent: US5411980 A1, 1995 ; US 5411980 A
  • Route2
    • null|null
      74-87-3
    • In-stock
      3-Amino-4-chlorobenzoic acid|CS-W021834
      2840-28-0
    • ~90%
    • In-stock
      Methyl 3-amino-4-chlorobenzoate|CS-W016934
      40872-87-5

    References

    • Heffron, Timothy P.; Wei, Binqing; Olivero, Alan; Staben, Steven T.; Tsui, Vickie; Do, Steven; Dotson, Jennafer; Folkes, Adrian J.; Goldsmith, Paul; Goldsmith, Richard; Gunzner, Janet; Lesnick, John; Lewis, Cristina; Mathieu, Simon; Nonomiya, Jim; Shuttleworth, Stephen; Sutherlin, Daniel P.; Wan, Nan Chi; Wang, Shumei; Wiesmann, Christian; Zhu, Bing-Yan Journal of Medicinal Chemistry, 2011 , vol. 54, # 22 p. 7815 - 7833
  • Route3

    References

    • Haydon, David J.; Bennett, James M.; Brown, David; Collins, Ian; Galbraith, Greta; Lancett, Paul; MacDonald, Rebecca; Stokes, Neil R.; Chauhan, Pramod K.; Sutariya, Jignesh K.; Nayal, Narendra; Srivastava, Anil; Beanland, Joy; Hall, Robin; Henstock, Vincent; Noula, Caterina; Rockley, Chris; Czaplewski, Lloyd Journal of Medicinal Chemistry, 2010 , vol. 53, # 10 p. 3927 - 3936

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   1.7088
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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