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Methyl 2-amino-5-chloro-3-methylbenzoate

  • CAS No. 79101-83-0

  • Cat. No. CS-0187465
  • Purity≥95%
  • MDL No.None

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

Methyl 2-amino-5-chloro-3-methylbenzoate|CS-0187465

Structure of 79101-83-0

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General Information

  • CAS No. 79101-83-0
  • Cat. No. CS-0187465
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀ClNO₂
  • Molecular Weight 199.63
  • Synonym(s) Benzoic acid, 2-aMino-5-chloro-3-Methyl-, Methyl ester
  • SMILES CC1=CC(=CC(=C1N)C(=O)OC)Cl

Synthesis

  • Route1

    References

    • GILEAD SCIENCES, INC.; BABAOGLU, Kerim; BOOJAMRA, Constantine, G.; EISENBERG, Eugene, J.; HUI, Hon Chung; MACKMAN, Richard, L.; PARRISH, Jay, P.; SANGI, Michael; SAUNDERS, Oliver, L.; SIEGEL, Dustin; SPERANDIO, David; YANG, Hai Patent: WO2011/163518 A1, 2011 ; Location in patent: Page/Page column 296 ; WO 2011/163518 A1
  • Route2

    References

    • E.I. DUPONT DE NEMOURS AND COMPANY Patent: WO2006/62978 A1, 2006 ; Location in patent: Page/Page column 22 ;
  • Route3

    References

    • E.I. DUPONT DE NEMOURS AND COMPANY Patent: WO2006/62978 A1, 2006 ; Location in patent: Page/Page column 23 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   2.01722
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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