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CS-W001157 4
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Methyl 3-amino-5-methanesulfonylbenzoate

  • CAS No. 168618-23-3

  • Cat. No. CS-0230600
  • Molecule weight229.25
  • Purity≥97%
  • MDL No.None

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

Methyl 3-amino-5-methanesulfonylbenzoate|CS-0230600

Structure of 168618-23-3

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General Information

  • CAS No. 168618-23-3
  • Cat. No. CS-0230600
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO₄S
  • Molecular Weight 229.25
  • Synonym(s) Methyl 3-amino-5-(methylsulfonyl)benzoate
  • SMILES O=C(OC)C1=CC(S(=O)(C)=O)=CC(N)=C1

Synthesis

  • Route1
    • Methyl 3-(methylsulfonyl)-5-nitrobenzoate|CS-0929446
      1044271-95-5
    • ~95%
    • Methyl 3-amino-5-methanesulfonylbenzoate|CS-0230600
      168618-23-3

    References

    • EP1953163 A1, ; Page/Page column 15 ; EP 1953163 A1

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   86.46
  • LogP   0.4589
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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